#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g41 s ARG 8 N 0.00 2.90 -0.48 -1.24 3.00 -1.26 -5.05 118.95 116.82 3g41 s ARG 8 Ca 0.00 -1.36 -0.01 0.00 -1.00 0.00 0.00 55.73 53.36 3g41 s ARG 8 Cb 0.00 -4.06 0.13 0.00 0.00 0.00 0.00 34.95 31.02 3g41 s ARG 8 CO 0.00 -1.00 0.26 -0.80 0.00 0.00 0.00 175.30 173.76 3g41 s ASN 9 N 2.47 5.03 -0.33 -2.12 0.01 -1.26 -5.06 114.94 113.69 3g41 s ASN 9 Ca 0.04 -2.45 -0.29 0.00 -0.71 0.00 0.00 52.86 49.45 3g41 s ASN 9 Cb -0.24 -1.78 0.01 0.00 0.41 0.00 0.00 41.25 39.66 3g41 s ASN 9 CO 0.06 -0.42 1.13 -0.60 -1.51 0.00 0.00 177.10 175.76 3g41 s ARG 10 N 0.52 4.01 -0.06 -0.60 6.06 -1.26 -4.96 118.95 122.67 3g41 s ARG 10 Ca 0.13 1.07 -0.07 0.00 -2.50 0.00 0.00 55.73 54.35 3g41 s ARG 10 Cb -0.22 -3.78 -0.04 0.00 0.06 0.00 0.00 34.95 30.97 3g41 s ARG 10 CO -0.04 -0.99 0.21 0.42 -2.50 0.00 0.00 175.30 172.40 3g41 s ILE 11 N 3.86 5.39 -0.24 4.11 -1.09 -1.26 -0.54 121.20 131.44 3g41 s ILE 11 Ca 0.48 0.21 0.01 0.00 -2.23 0.00 0.00 60.65 59.11 3g41 s ILE 11 Cb -0.13 -3.50 0.06 0.00 -1.58 0.00 0.00 42.46 37.32 3g41 s ILE 11 CO 0.18 0.51 -0.04 0.86 -1.23 0.00 0.00 174.94 175.22 3g41 s TRP 12 N -1.15 2.33 -0.33 3.97 -0.11 -0.07 -4.89 118.94 118.69 3g41 s TRP 12 Ca 0.21 -1.73 -0.14 0.00 1.22 0.00 0.00 56.10 55.65 3g41 s TRP 12 Cb -0.13 -1.58 -0.02 0.00 -1.50 0.00 0.00 33.47 30.24 3g41 s TRP 12 CO 0.10 -0.77 0.33 0.42 -4.62 0.00 0.00 176.95 172.41 3g41 s ILE 13 N 1.42 5.20 -0.22 5.86 1.01 -1.26 -1.13 121.20 132.07 3g41 s ILE 13 Ca -0.05 0.09 -0.08 0.00 0.00 0.00 0.00 60.65 60.61 3g41 s ILE 13 Cb -0.19 -3.76 -0.04 0.00 0.01 0.00 0.00 42.46 38.48 3g41 s ILE 13 CO -0.07 -0.02 0.09 -0.69 0.00 0.00 0.00 174.94 174.25 3g41 s VAL 14 N 1.96 4.70 0.02 2.92 1.01 -0.06 -0.54 120.40 130.41 3g41 s VAL 14 Ca 0.11 -0.05 -0.19 0.00 0.00 0.00 0.00 61.98 61.84 3g41 s VAL 14 Cb -0.16 -3.17 -0.06 0.00 0.00 0.00 0.00 36.38 32.99 3g41 s VAL 14 CO 0.11 0.38 0.56 -0.83 0.00 0.00 0.00 175.10 175.32 3g41 s GLY 15 N 1.07 2.61 0.35 4.51 0.00 0.47 -1.41 107.32 114.91 3g41 s GLY 15 Ca 0.05 -0.01 -0.01 0.00 0.00 0.00 0.00 44.72 44.75 3g41 s GLY 15 CO 0.03 0.56 0.45 -1.08 0.00 0.00 0.00 173.10 173.07 3g41 s THR 16 N -0.63 0.00 -0.30 0.90 -1.32 -0.49 -2.14 115.64 111.66 3g41 s THR 16 Ca 0.29 -1.65 -0.03 0.00 -1.21 0.00 0.00 61.69 59.09 3g41 s THR 16 Cb -0.18 -2.63 0.10 0.00 -1.51 0.00 0.00 72.50 68.27 3g41 s THR 16 CO 0.17 0.00 0.13 0.21 -2.21 0.00 0.00 174.62 172.92 3g41 s ASN 17 N -3.26 3.66 -1.44 8.08 2.47 -1.26 -1.51 114.94 121.67 3g41 s ASN 17 Ca 0.32 -1.44 -0.09 0.00 0.42 0.00 0.00 52.86 52.06 3g41 s ASN 17 Cb -0.00 -0.51 0.05 0.00 -1.45 0.00 0.00 41.25 39.34 3g41 s ASN 17 CO 0.22 -0.43 2.47 0.00 -3.72 0.00 0.00 177.10 175.64 3g41 n ALA 18 N 5.06 6.64 -1.73 1.71 0.00 -1.26 -4.19 120.51 126.74 3g41 n ALA 18 Ca -0.04 -3.91 0.04 0.00 0.00 0.00 0.00 53.44 49.54 3g41 n ALA 18 Cb 0.42 -3.13 0.07 0.00 0.00 0.00 0.00 19.45 16.81 3g41 n ALA 18 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3g41 n THR 19 N 3.13 0.83 -3.14 0.00 -2.24 -1.11 -4.14 114.28 107.61 3g41 n THR 19 Ca 0.63 -1.19 -0.22 0.00 -2.27 0.00 0.00 64.05 60.99 3g41 n THR 19 Cb 0.28 0.26 -0.06 0.00 -2.10 0.00 0.00 70.33 68.71 3g41 n THR 19 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3g41 n TYR 20 N -0.51 -0.69 -2.17 4.78 9.36 0.62 -2.13 117.16 126.42 3g41 n TYR 20 Ca 0.08 -3.36 -0.37 0.00 3.32 0.00 0.00 57.90 57.57 3g41 n TYR 20 Cb 0.74 -0.13 0.00 0.00 -0.63 0.00 0.00 39.34 39.32 3g41 n TYR 20 CO 0.00 0.00 0.00 -1.25 0.22 0.00 0.00 176.86 175.83 3g41 s PRO 21 N -1.00 3.52 -0.18 2.98 0.04 -1.24 -1.50 135.00 137.62 3g41 s PRO 21 Ca 0.35 1.81 0.10 0.00 0.04 0.00 0.00 61.00 63.30 3g41 s PRO 21 Cb 0.18 -2.27 0.62 0.00 0.04 0.00 0.00 34.50 33.07 3g41 s PRO 21 CO -0.12 -0.76 1.45 -0.35 0.04 0.00 0.00 177.00 177.26 3g41 n PRO 22 N -0.81 3.91 -0.07 0.56 -0.04 -1.26 -4.85 135.00 132.43 3g41 n PRO 22 Ca 0.09 -2.38 -0.10 0.00 -0.04 0.00 0.00 63.50 61.07 3g41 n PRO 22 Cb 0.48 -2.08 -0.08 0.00 -0.04 0.00 0.00 33.50 31.78 3g41 n PRO 22 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 3g41 h PHE 23 N 2.96 0.00 -2.67 0.54 0.04 -1.59 0.74 116.94 116.96 3g41 h PHE 23 Ca 0.01 0.00 -0.14 0.00 2.80 0.00 0.00 57.97 60.65 3g41 h PHE 23 Cb 1.65 0.00 -0.28 0.00 2.20 0.00 0.00 35.95 39.51 3g41 h PHE 23 CO 0.84 0.70 -0.39 -1.83 -0.60 0.00 0.00 178.31 177.03 3g41 s GLU 24 N -2.06 0.29 0.30 1.51 1.03 -0.82 -0.75 118.70 118.21 3g41 s GLU 24 Ca -0.15 0.87 -0.20 0.00 0.03 0.00 0.00 54.97 55.52 3g41 s GLU 24 Cb -0.00 0.12 0.03 0.00 -0.80 0.00 0.00 34.13 33.48 3g41 s GLU 24 CO 0.43 -0.23 0.73 1.52 -1.33 0.00 0.00 175.26 176.39 3g41 s TYR 25 N 2.14 -0.12 -0.25 4.83 1.13 -0.33 -0.27 117.35 124.47 3g41 s TYR 25 Ca -0.04 -0.38 -0.10 0.00 -1.41 0.00 0.00 57.07 55.14 3g41 s TYR 25 Cb -0.11 0.73 -0.05 0.00 -1.10 0.00 0.00 41.96 41.43 3g41 s TYR 25 CO -0.11 -1.30 0.16 0.08 -2.51 0.00 0.00 175.55 171.86 3g41 s VAL 26 N -3.60 5.20 0.70 -3.49 1.01 -1.26 -0.82 120.40 118.14 3g41 s VAL 26 Ca 0.12 0.13 -0.01 0.00 0.00 0.00 0.00 61.98 62.22 3g41 s VAL 26 Cb -0.06 -3.44 0.11 0.00 0.00 0.00 0.00 36.38 32.99 3g41 s VAL 26 CO 0.08 0.31 0.97 1.51 0.00 0.00 0.00 175.10 177.97 3g41 s ASP 27 N 1.35 4.47 0.39 3.32 1.47 -0.75 -4.88 116.67 122.04 3g41 s ASP 27 Ca 0.07 -0.29 0.25 0.00 1.18 0.00 0.00 52.55 53.76 3g41 s ASP 27 Cb -0.15 -0.16 1.35 0.00 -0.34 0.00 0.00 42.92 43.63 3g41 s ASP 27 CO 0.07 -1.77 1.50 0.00 0.68 0.00 0.00 175.17 175.65 3g41 n ALA 28 N -2.78 1.14 1.45 2.11 0.00 -1.26 0.12 120.51 121.30 3g41 n ALA 28 Ca 0.14 0.90 0.09 0.00 0.00 0.00 0.00 53.44 54.57 3g41 n ALA 28 Cb 0.60 -0.99 0.36 0.00 0.00 0.00 0.00 19.45 19.43 3g41 n ALA 28 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3g41 n GLN 29 N -4.89 1.48 -1.12 0.00 6.02 -1.26 -4.92 117.38 112.69 3g41 n GLN 29 Ca 0.37 -0.73 -0.04 0.00 -0.01 0.00 0.00 57.00 56.59 3g41 n GLN 29 Cb 1.36 -1.32 -0.02 0.00 1.02 0.00 0.00 30.24 31.28 3g41 n GLN 29 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3g41 n GLY 30 N 0.98 0.70 3.80 1.08 0.00 0.12 -5.04 105.19 106.82 3g41 n GLY 30 Ca 0.14 -0.76 -0.34 0.00 0.00 0.00 0.00 46.02 45.06 3g41 n GLY 30 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3g41 s GLU 31 N -2.17 3.15 -0.53 1.61 2.56 -1.26 -4.84 118.70 117.23 3g41 s GLU 31 Ca 0.00 -0.41 -0.28 0.00 0.00 0.00 0.00 54.97 54.27 3g41 s GLU 31 Cb 0.00 -2.92 0.03 0.00 2.00 0.00 0.00 34.13 33.24 3g41 s GLU 31 CO 0.00 0.67 1.16 0.08 -0.56 0.00 0.00 175.26 176.61 3g41 s VAL 32 N -1.17 4.12 0.34 3.70 1.01 -1.26 -1.82 120.40 125.32 3g41 s VAL 32 Ca 0.22 1.05 0.03 0.00 0.00 0.00 0.00 61.98 63.28 3g41 s VAL 32 Cb -0.12 -4.66 -0.05 0.00 0.00 0.00 0.00 36.38 31.55 3g41 s VAL 32 CO 0.12 -1.18 0.08 0.68 0.00 0.00 0.00 175.10 174.81 3g41 s VAL 33 N 4.69 0.91 0.00 2.92 -7.23 0.00 -4.93 120.40 116.76 3g41 s VAL 33 Ca 0.45 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.62 3g41 s VAL 33 Cb -0.07 -2.64 0.00 0.00 0.56 0.00 0.00 36.38 34.23 3g41 s VAL 33 CO 0.29 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.69 3g41 n GLY 34 N -0.72 1.60 0.23 2.32 0.00 -1.26 -1.19 105.19 106.18 3g41 n GLY 34 Ca -0.03 -1.80 -0.01 0.00 0.00 0.00 0.00 46.02 44.18 3g41 n GLY 34 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3g41 h PHE 35 N 0.00 0.40 -0.15 1.61 3.57 -0.38 -1.87 116.94 120.12 3g41 h PHE 35 Ca 0.00 0.03 -0.11 0.00 3.53 0.00 0.00 57.97 61.42 3g41 h PHE 35 Cb 0.00 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 38.64 3g41 h PHE 35 CO 0.00 0.11 -0.40 -0.44 -2.23 0.00 0.00 178.31 175.35 3g41 h ASP 36 N 0.42 0.35 -0.32 0.41 3.32 -1.18 -1.18 116.42 118.23 3g41 h ASP 36 Ca 0.29 -0.15 -0.07 0.00 0.02 0.00 0.00 57.03 57.12 3g41 h ASP 36 Cb 0.34 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.79 3g41 h ASP 36 CO -0.29 0.72 -0.09 0.40 -1.72 0.00 0.00 179.24 178.27 3g41 h ILE 37 N 0.28 1.28 -0.54 0.35 1.08 -1.55 0.68 117.51 119.09 3g41 h ILE 37 Ca 0.03 -1.14 -0.09 0.00 -0.39 0.00 0.00 64.86 63.27 3g41 h ILE 37 Cb 0.83 1.36 -0.02 0.00 -3.07 0.00 0.00 36.82 35.92 3g41 h ILE 37 CO 0.07 0.37 -0.02 0.44 -0.69 0.00 0.00 178.15 178.31 3g41 h ASP 38 N 0.41 0.92 -0.42 1.72 3.32 -1.27 -2.10 116.42 119.00 3g41 h ASP 38 Ca 0.08 -0.25 -0.06 0.00 0.02 0.00 0.00 57.03 56.82 3g41 h ASP 38 Cb 0.58 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.87 3g41 h ASP 38 CO 0.03 0.99 0.03 0.25 -1.72 0.00 0.00 179.24 178.83 3g41 h LEU 39 N 0.86 0.69 -0.65 1.55 5.85 -1.15 -1.17 115.31 121.29 3g41 h LEU 39 Ca 0.15 -0.28 0.08 0.00 0.84 0.00 0.00 57.88 58.67 3g41 h LEU 39 Cb 0.54 -0.18 -0.07 0.00 0.37 0.00 0.00 40.66 41.32 3g41 h LEU 39 CO 0.03 0.80 0.30 0.00 -0.34 0.00 0.00 178.44 179.23 3g41 h ALA 40 N 0.91 0.87 -0.11 1.25 0.00 -0.71 0.13 119.26 121.60 3g41 h ALA 40 Ca 0.12 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 3g41 h ALA 40 Cb 0.43 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 3g41 h ALA 40 CO 0.01 -0.09 0.05 -0.22 0.00 0.00 0.00 179.25 179.00 3g41 h LYS 41 N 0.53 0.15 -0.82 0.00 3.64 -1.13 0.25 116.57 119.20 3g41 h LYS 41 Ca 0.32 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.68 3g41 h LYS 41 Cb 0.33 -0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.08 3g41 h LYS 41 CO -0.26 0.24 0.53 0.00 -2.27 0.00 0.00 179.45 177.69 3g41 h ALA 42 N 0.91 1.04 -0.23 5.00 0.00 -0.80 -1.79 119.26 123.38 3g41 h ALA 42 Ca 0.04 -0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 3g41 h ALA 42 Cb 0.14 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 3g41 h ALA 42 CO -0.00 0.46 -0.20 0.82 0.00 0.00 0.00 179.25 180.32 3g41 h ILE 43 N 1.11 1.32 -0.89 0.00 2.04 -0.57 -2.91 117.51 117.62 3g41 h ILE 43 Ca 0.30 -1.36 0.14 0.00 1.00 0.00 0.00 64.86 64.94 3g41 h ILE 43 Cb -0.11 1.69 -0.09 0.00 -0.74 0.00 0.00 36.82 37.58 3g41 h ILE 43 CO -0.06 0.42 0.50 0.77 0.00 0.00 0.00 178.15 179.77 3g41 h SER 44 N 0.23 0.65 -0.78 1.72 4.64 -0.76 -0.43 113.55 118.82 3g41 h SER 44 Ca 0.04 0.08 0.01 0.00 -0.47 0.00 0.00 61.79 61.45 3g41 h SER 44 Cb 0.75 -0.03 -0.04 0.00 -0.31 0.00 0.00 62.40 62.77 3g41 h SER 44 CO 0.05 0.29 0.52 -0.33 -0.87 0.00 0.00 176.83 176.49 3g41 h GLU 45 N 0.72 1.02 -0.38 4.77 3.07 -1.24 -1.69 114.58 120.85 3g41 h GLU 45 Ca 0.48 -0.06 -0.04 0.00 -0.50 0.00 0.00 59.36 59.23 3g41 h GLU 45 Cb 0.63 -0.23 -0.02 0.00 -0.84 0.00 0.00 28.75 28.29 3g41 h GLU 45 CO -0.34 0.67 0.06 0.87 -1.40 0.00 0.00 179.01 178.88 3g41 h LYS 46 N 1.05 0.57 0.00 2.33 1.79 -0.99 -2.79 116.57 118.52 3g41 h LYS 46 Ca 0.29 -0.11 0.00 0.00 -2.18 0.00 0.00 60.65 58.66 3g41 h LYS 46 Cb -0.10 -0.09 0.00 0.00 -1.58 0.00 0.00 32.23 30.46 3g41 h LYS 46 CO -0.07 0.55 0.00 -0.07 -1.08 0.00 0.00 179.45 178.78 3g41 h LEU 47 N 0.55 0.00 -0.05 2.94 3.38 -0.68 -3.48 115.31 117.98 3g41 h LEU 47 Ca 0.13 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.98 3g41 h LEU 47 Cb 0.26 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.03 3g41 h LEU 47 CO 0.00 0.00 -0.16 0.61 0.09 0.00 0.00 178.44 178.98 3g41 n GLY 48 N 0.75 0.34 3.19 0.83 0.00 -0.71 -5.06 105.19 104.53 3g41 n GLY 48 Ca 0.03 -0.54 -0.16 0.00 0.00 0.00 0.00 46.02 45.35 3g41 n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3g41 s LYS 49 N -4.81 0.88 -0.10 1.61 1.02 -0.78 -4.85 119.74 112.71 3g41 s LYS 49 Ca 0.08 -1.12 -0.25 0.00 0.02 0.00 0.00 55.97 54.69 3g41 s LYS 49 Cb -0.03 -0.69 -0.03 0.00 -0.52 0.00 0.00 37.83 36.56 3g41 s LYS 49 CO 0.10 0.13 0.79 -1.14 -0.92 0.00 0.00 175.35 174.31 3g41 s GLN 50 N -2.49 4.39 0.27 1.68 0.74 0.30 -4.32 119.66 120.22 3g41 s GLN 50 Ca 0.04 1.01 -0.29 0.00 0.05 0.00 0.00 55.36 56.17 3g41 s GLN 50 Cb -0.05 -3.51 -0.09 0.00 1.10 0.00 0.00 33.01 30.46 3g41 s GLN 50 CO 0.01 -0.13 1.03 -1.17 -0.55 0.00 0.00 175.29 174.48 3g41 s LEU 51 N 1.43 4.57 -0.08 3.68 2.96 -1.26 -0.89 118.68 129.09 3g41 s LEU 51 Ca 0.40 2.11 0.00 0.00 -0.22 0.00 0.00 54.13 56.42 3g41 s LEU 51 Cb -0.18 -3.66 0.02 0.00 0.50 0.00 0.00 46.19 42.88 3g41 s LEU 51 CO 0.17 -0.03 -0.06 -0.70 -1.32 0.00 0.00 176.35 174.41 3g41 s GLU 52 N -1.40 1.22 -0.19 1.98 2.12 -0.29 -4.88 118.70 117.26 3g41 s GLU 52 Ca 0.44 -0.18 -0.08 0.00 0.36 0.00 0.00 54.97 55.50 3g41 s GLU 52 Cb -0.29 -1.26 -0.04 0.00 0.26 0.00 0.00 34.13 32.80 3g41 s GLU 52 CO 0.36 -0.17 0.10 0.08 -0.54 0.00 0.00 175.26 175.08 3g41 s VAL 53 N 1.38 5.10 0.04 3.70 1.01 -1.26 -0.88 120.40 129.48 3g41 s VAL 53 Ca -0.02 0.08 0.05 0.00 0.00 0.00 0.00 61.98 62.09 3g41 s VAL 53 Cb -0.14 -3.31 -0.02 0.00 0.00 0.00 0.00 36.38 32.92 3g41 s VAL 53 CO -0.03 0.46 -0.16 -0.13 0.00 0.00 0.00 175.10 175.24 3g41 s ARG 54 N 0.27 1.06 -0.11 2.72 1.81 -0.50 -4.97 118.95 119.22 3g41 s ARG 54 Ca 0.06 -0.80 -0.04 0.00 -1.72 0.00 0.00 55.73 53.23 3g41 s ARG 54 Cb -0.12 -1.10 -0.04 0.00 -0.45 0.00 0.00 34.95 33.25 3g41 s ARG 54 CO -0.01 0.28 0.04 -1.21 -0.68 0.00 0.00 175.30 173.72 3g41 s GLU 55 N -1.12 3.26 0.13 3.54 0.41 -1.26 -1.39 118.70 122.26 3g41 s GLU 55 Ca 0.03 -0.34 -0.02 0.00 -0.41 0.00 0.00 54.97 54.22 3g41 s GLU 55 Cb -0.08 -2.95 -0.03 0.00 -1.78 0.00 0.00 34.13 29.29 3g41 s GLU 55 CO 0.01 0.64 0.09 -0.06 -0.49 0.00 0.00 175.26 175.45 3g41 s PHE 56 N -0.67 0.73 0.41 1.61 0.08 -0.57 -4.95 117.98 114.62 3g41 s PHE 56 Ca 0.11 -1.12 -0.26 0.00 0.12 0.00 0.00 56.93 55.77 3g41 s PHE 56 Cb -0.12 -0.39 -0.10 0.00 -0.57 0.00 0.00 43.02 41.84 3g41 s PHE 56 CO 0.02 -0.54 1.38 0.00 -0.10 0.00 0.00 175.22 175.99 3g41 n ALA 57 N -0.09 1.81 -0.26 5.36 0.00 -1.26 -4.27 120.51 121.80 3g41 n ALA 57 Ca -0.07 0.29 0.03 0.00 0.00 0.00 0.00 53.44 53.69 3g41 n ALA 57 Cb 0.63 -2.34 0.24 0.00 0.00 0.00 0.00 19.45 17.98 3g41 n ALA 57 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 3g41 h PHE 58 N 2.44 0.99 0.00 0.00 3.57 -1.92 -1.27 116.94 120.76 3g41 h PHE 58 Ca -0.49 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.03 3g41 h PHE 58 Cb 1.27 -0.33 0.00 0.00 2.79 0.00 0.00 35.95 39.68 3g41 h PHE 58 CO 0.50 0.57 0.00 -0.40 -2.23 0.00 0.00 178.31 176.75 3g41 n ASP 59 N -4.45 0.00 -0.53 0.41 5.75 -1.26 -2.79 116.55 113.68 3g41 n ASP 59 Ca 0.11 0.07 0.09 0.00 -0.01 0.00 0.00 54.79 55.05 3g41 n ASP 59 Cb 0.13 -0.32 0.03 0.00 -1.03 0.00 0.00 41.12 39.92 3g41 n ASP 59 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3g41 n ALA 60 N -1.32 2.94 -0.14 2.12 0.00 -0.49 -4.64 120.51 119.00 3g41 n ALA 60 Ca 0.09 -0.59 -0.10 0.00 0.00 0.00 0.00 53.44 52.84 3g41 n ALA 60 Cb 0.18 -0.61 -0.01 0.00 0.00 0.00 0.00 19.45 19.01 3g41 n ALA 60 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3g41 h LEU 61 N 2.58 0.60 -0.25 0.00 3.38 -1.43 -1.94 115.31 118.25 3g41 h LEU 61 Ca 0.00 -0.23 -0.03 0.00 0.09 0.00 0.00 57.88 57.71 3g41 h LEU 61 Cb 0.66 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 3g41 h LEU 61 CO 0.00 0.67 0.05 0.40 0.09 0.00 0.00 178.44 179.65 3g41 h ILE 62 N 0.50 1.22 -0.58 1.22 2.04 -1.82 -0.29 117.51 119.80 3g41 h ILE 62 Ca 0.13 -0.74 0.00 0.00 1.00 0.00 0.00 64.86 65.24 3g41 h ILE 62 Cb 0.30 1.23 -0.03 0.00 -0.74 0.00 0.00 36.82 37.58 3g41 h ILE 62 CO 0.00 0.24 0.37 0.25 0.00 0.00 0.00 178.15 179.01 3g41 h LEU 63 N 0.23 0.69 -0.97 1.44 5.85 -1.85 -0.11 115.31 120.59 3g41 h LEU 63 Ca 0.08 -0.04 -0.04 0.00 0.84 0.00 0.00 57.88 58.72 3g41 h LEU 63 Cb 0.31 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.14 3g41 h LEU 63 CO 0.00 0.52 0.25 0.78 -0.34 0.00 0.00 178.44 179.65 3g41 h ASN 64 N 0.79 0.91 -0.06 1.25 4.21 -1.23 0.38 115.58 121.83 3g41 h ASN 64 Ca 0.21 -0.14 -0.00 0.00 1.21 0.00 0.00 56.30 57.58 3g41 h ASN 64 Cb -0.05 -0.24 -0.00 0.00 -1.12 0.00 0.00 38.32 36.91 3g41 h ASN 64 CO -0.04 0.83 0.03 0.25 -1.29 0.00 0.00 177.43 177.21 3g41 h LEU 65 N 0.97 0.07 -1.19 1.61 5.85 -0.70 0.49 115.31 122.39 3g41 h LEU 65 Ca 0.22 -0.04 -0.05 0.00 0.84 0.00 0.00 57.88 58.86 3g41 h LEU 65 Cb 0.21 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.21 3g41 h LEU 65 CO -0.02 0.09 0.06 0.11 -0.34 0.00 0.00 178.44 178.34 3g41 h LYS 66 N 0.04 0.62 -0.00 1.25 1.57 -0.70 -2.33 116.57 117.02 3g41 h LYS 66 Ca 0.02 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.68 3g41 h LYS 66 Cb 0.03 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.24 3g41 h LYS 66 CO -0.00 0.60 -0.06 1.63 -0.57 0.00 0.00 179.45 181.05 3g41 n LYS 67 N -4.29 0.44 -3.08 3.15 5.02 0.10 -4.93 118.16 114.56 3g41 n LYS 67 Ca 0.02 -0.07 -0.17 0.00 -2.02 0.00 0.00 58.31 56.07 3g41 n LYS 67 Cb 0.22 -1.50 0.04 0.00 -0.02 0.00 0.00 35.03 33.78 3g41 n LYS 67 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 3g41 n HIS 68 N -1.22 -1.81 0.36 2.13 8.25 -0.85 -4.92 115.22 117.17 3g41 n HIS 68 Ca 0.13 0.58 0.12 0.00 -0.26 0.00 0.00 57.72 58.29 3g41 n HIS 68 Cb 0.27 -3.78 0.18 0.00 1.12 0.00 0.00 29.99 27.78 3g41 n HIS 68 CO 0.00 0.00 0.00 -0.09 0.64 0.00 0.00 176.34 176.89 3g41 h ARG 69 N -1.55 0.00 -4.67 -0.41 2.43 -1.17 -3.46 114.38 105.54 3g41 h ARG 69 Ca -0.40 0.00 -0.25 0.00 -0.81 0.00 0.00 59.98 58.51 3g41 h ARG 69 Cb 1.27 0.00 -0.15 0.00 -0.42 0.00 0.00 29.97 30.67 3g41 h ARG 69 CO 0.41 0.00 -0.65 0.96 -1.51 0.00 0.00 179.97 179.18 3g41 s ILE 70 N -3.21 0.46 -0.14 1.20 -4.36 -1.18 -5.01 121.20 108.95 3g41 s ILE 70 Ca 0.06 -1.96 0.19 0.00 -0.26 0.00 0.00 60.65 58.68 3g41 s ILE 70 Cb 0.10 -2.13 -0.28 0.00 1.25 0.00 0.00 42.46 41.40 3g41 s ILE 70 CO 0.70 -0.44 0.21 0.47 0.24 0.00 0.00 174.94 176.12 3g41 n ASP 71 N -0.20 0.04 -3.57 4.36 8.00 0.29 -4.61 116.55 120.87 3g41 n ASP 71 Ca -0.06 0.00 -0.11 0.00 0.71 0.00 0.00 54.79 55.33 3g41 n ASP 71 Cb 0.64 1.33 -0.04 0.00 -0.02 0.00 0.00 41.12 43.03 3g41 n ASP 71 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3g41 s ALA 72 N -2.83 -1.14 -0.18 2.24 0.00 -0.91 -4.59 121.76 114.36 3g41 s ALA 72 Ca -0.09 0.12 -0.02 0.00 0.00 0.00 0.00 51.96 51.97 3g41 s ALA 72 Cb 0.09 0.75 -0.01 0.00 0.00 0.00 0.00 23.12 23.95 3g41 s ALA 72 CO 0.85 -0.68 -0.09 0.42 0.00 0.00 0.00 175.76 176.26 3g41 s ILE 73 N -3.78 3.14 -0.29 0.00 1.01 -0.53 -0.40 121.20 120.35 3g41 s ILE 73 Ca 0.02 -0.60 0.01 0.00 0.00 0.00 0.00 60.65 60.08 3g41 s ILE 73 Cb 0.01 -2.38 0.09 0.00 0.01 0.00 0.00 42.46 40.19 3g41 s ILE 73 CO -0.12 0.48 0.04 -0.76 0.00 0.00 0.00 174.94 174.57 3g41 s LEU 74 N 0.99 2.95 -0.32 2.97 1.43 -0.91 -1.16 118.68 124.63 3g41 s LEU 74 Ca -0.01 -1.60 0.16 0.00 -1.03 0.00 0.00 54.13 51.65 3g41 s LEU 74 Cb -0.15 -1.15 0.44 0.00 0.03 0.00 0.00 46.19 45.37 3g41 s LEU 74 CO -0.01 -0.35 1.35 0.00 0.23 0.00 0.00 176.35 177.57 3g41 n ALA 75 N 4.65 2.65 -4.20 4.21 0.00 -1.26 -4.38 120.51 122.18 3g41 n ALA 75 Ca -0.04 -1.74 -0.35 0.00 0.00 0.00 0.00 53.44 51.31 3g41 n ALA 75 Cb 0.43 -0.87 -0.03 0.00 0.00 0.00 0.00 19.45 18.98 3g41 n ALA 75 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3g41 n GLY 76 N -1.04 -0.41 3.61 0.00 0.00 -1.26 -4.86 105.19 101.23 3g41 n GLY 76 Ca -0.06 0.14 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 3g41 n GLY 76 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3g41 s MET 77 N -6.90 3.94 0.25 1.61 0.00 -1.26 -4.91 119.30 112.04 3g41 s MET 77 Ca 0.63 0.53 -0.30 0.00 0.00 0.00 0.00 55.69 56.55 3g41 s MET 77 Cb -0.35 -3.73 -0.10 0.00 0.00 0.00 0.00 34.83 30.65 3g41 s MET 77 CO 0.93 -0.67 1.42 -1.12 0.00 0.00 0.00 175.02 175.58 3g41 s SER 78 N 1.63 6.67 -0.28 1.11 0.01 -1.26 -1.05 113.70 120.53 3g41 s SER 78 Ca 0.31 2.66 -0.29 0.00 1.31 0.00 0.00 55.95 59.94 3g41 s SER 78 Cb -0.14 -2.63 0.00 0.00 0.21 0.00 0.00 66.02 63.47 3g41 s SER 78 CO 0.13 -0.68 1.25 -0.63 0.41 0.00 0.00 173.24 173.72 3g41 s ILE 79 N -0.11 4.23 0.15 1.44 1.01 0.18 -4.85 121.20 123.25 3g41 s ILE 79 Ca 0.58 1.41 0.06 0.00 0.00 0.00 0.00 60.65 62.70 3g41 s ILE 79 Cb -0.41 -4.18 -0.04 0.00 0.01 0.00 0.00 42.46 37.83 3g41 s ILE 79 CO 0.44 -0.43 -0.13 0.42 0.00 0.00 0.00 174.94 175.24 3g41 s THR 80 N 4.11 1.40 0.20 2.92 -4.23 -1.26 -1.12 115.64 117.65 3g41 s THR 80 Ca 0.54 -1.90 -0.11 0.00 -1.18 0.00 0.00 61.69 59.03 3g41 s THR 80 Cb -0.17 -1.72 0.12 0.00 1.34 0.00 0.00 72.50 72.08 3g41 s THR 80 CO 0.20 -0.52 1.84 -0.65 -0.54 0.00 0.00 174.62 174.95 3g41 h PRO 81 N 3.15 0.78 -0.64 3.99 0.11 -1.95 -1.88 132.00 135.56 3g41 h PRO 81 Ca -0.39 -0.05 0.06 0.00 0.11 0.00 0.00 66.00 65.74 3g41 h PRO 81 Cb 1.20 -0.18 -0.06 0.00 0.11 0.00 0.00 31.00 32.08 3g41 h PRO 81 CO 0.56 0.51 0.35 1.03 -0.21 0.00 0.00 178.00 180.24 3g41 h SER 82 N 0.80 0.50 0.27 -2.05 0.87 -2.00 -2.85 113.55 109.10 3g41 h SER 82 Ca 0.26 0.03 -0.19 0.00 -1.23 0.00 0.00 61.79 60.66 3g41 h SER 82 Cb 0.00 -0.06 -0.00 0.00 -0.44 0.00 0.00 62.40 61.89 3g41 h SER 82 CO -0.10 0.32 -0.74 0.03 -0.53 0.00 0.00 176.83 175.82 3g41 h ARG 83 N 0.64 0.40 0.00 2.24 3.08 -1.89 -3.16 114.38 115.69 3g41 h ARG 83 Ca 0.29 -0.33 -0.02 0.00 0.07 0.00 0.00 59.98 59.99 3g41 h ARG 83 Cb 0.20 0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.32 3g41 h ARG 83 CO -0.19 0.97 -0.10 1.96 -1.07 0.00 0.00 179.97 181.54 3g41 h GLN 84 N 0.27 0.00 0.00 0.04 4.20 -1.12 -1.05 115.11 117.45 3g41 h GLN 84 Ca -0.03 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.64 3g41 h GLN 84 Cb 1.32 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.09 3g41 h GLN 84 CO 0.13 0.10 -0.18 0.87 -0.67 0.00 0.00 178.83 179.08 3g41 h LYS 85 N 0.00 0.00 0.00 1.46 6.56 -1.47 -3.34 116.57 119.78 3g41 h LYS 85 Ca -0.00 0.00 -0.38 0.00 -1.06 0.00 0.00 60.65 59.20 3g41 h LYS 85 Cb 0.30 0.00 -0.07 0.00 -0.57 0.00 0.00 32.23 31.89 3g41 h LYS 85 CO 0.01 0.18 -2.45 0.39 -2.06 0.00 0.00 179.45 175.53 3g41 n GLU 86 N -3.81 0.66 -4.09 3.15 -0.58 -0.49 -5.05 120.64 110.44 3g41 n GLU 86 Ca -0.02 0.11 -0.10 0.00 -0.42 0.00 0.00 57.16 56.74 3g41 n GLU 86 Cb 0.28 -1.52 -0.09 0.00 -0.57 0.00 0.00 31.44 29.54 3g41 n GLU 86 CO 0.00 0.00 0.00 0.96 -0.48 0.00 0.00 177.13 177.61 3g41 s ILE 87 N -2.51 0.07 -0.00 -3.67 -4.36 -0.64 -4.54 121.20 105.54 3g41 s ILE 87 Ca -0.29 -1.72 -0.23 0.00 -0.26 0.00 0.00 60.65 58.15 3g41 s ILE 87 Cb 0.08 -2.06 -0.05 0.00 1.25 0.00 0.00 42.46 41.68 3g41 s ILE 87 CO 0.66 -0.31 0.68 0.00 0.24 0.00 0.00 174.94 176.21 3g41 s ALA 88 N -4.04 3.40 -0.21 2.27 0.00 -0.07 -4.26 121.76 118.85 3g41 s ALA 88 Ca 0.24 0.15 0.01 0.00 0.00 0.00 0.00 51.96 52.36 3g41 s ALA 88 Cb 0.06 -2.89 0.05 0.00 0.00 0.00 0.00 23.12 20.33 3g41 s ALA 88 CO 0.03 0.06 -0.10 -0.51 0.00 0.00 0.00 175.76 175.24 3g41 s LEU 89 N 0.12 2.43 -0.35 0.00 1.43 -1.26 -0.47 118.68 120.57 3g41 s LEU 89 Ca 0.35 -0.96 -0.17 0.00 -1.03 0.00 0.00 54.13 52.33 3g41 s LEU 89 Cb -0.19 -1.27 -0.01 0.00 0.03 0.00 0.00 46.19 44.76 3g41 s LEU 89 CO 0.19 -0.15 0.43 -0.76 0.23 0.00 0.00 176.35 176.29 3g41 s LEU 90 N 1.36 4.44 0.36 1.79 1.43 -0.50 -4.77 118.68 122.78 3g41 s LEU 90 Ca -0.02 -0.19 -0.28 0.00 -1.03 0.00 0.00 54.13 52.61 3g41 s LEU 90 Cb -0.17 -2.45 -0.10 0.00 0.03 0.00 0.00 46.19 43.51 3g41 s LEU 90 CO -0.08 -0.42 1.32 -2.16 0.23 0.00 0.00 176.35 175.24 3g41 s PRO 91 N 2.19 4.22 0.00 1.29 0.04 -1.26 -0.94 135.00 140.54 3g41 s PRO 91 Ca 0.15 2.23 0.00 0.00 0.04 0.00 0.00 61.00 63.41 3g41 s PRO 91 Cb -0.16 -2.97 0.00 0.00 0.04 0.00 0.00 34.50 31.41 3g41 s PRO 91 CO 0.13 -0.31 0.00 2.48 0.04 0.00 0.00 177.00 179.34 3g41 n TYR 92 N 0.57 0.00 -3.72 0.56 0.18 -0.51 -4.90 117.16 109.34 3g41 n TYR 92 Ca 0.01 0.00 -0.13 0.00 1.88 0.00 0.00 57.90 59.66 3g41 n TYR 92 Cb 0.42 0.00 -0.10 0.00 -0.38 0.00 0.00 39.34 39.29 3g41 n TYR 92 CO 0.00 0.00 0.00 -0.47 -2.08 0.00 0.00 176.86 174.31 3g41 s TYR 93 N 0.00 -0.50 0.00 -3.48 5.04 -1.23 -5.03 117.35 112.15 3g41 s TYR 93 Ca 0.00 1.22 0.00 0.00 -2.44 0.00 0.00 57.07 55.85 3g41 s TYR 93 Cb 0.00 0.17 0.00 0.00 0.35 0.00 0.00 41.96 42.48 3g41 s TYR 93 CO 0.00 -0.24 0.00 0.41 -1.34 0.00 0.00 175.55 174.38 3g41 n GLY 94 N 2.83 -0.04 3.72 8.97 0.00 -1.26 -0.08 105.19 119.33 3g41 n GLY 94 Ca -0.13 -1.81 -0.32 0.00 0.00 0.00 0.00 46.02 43.76 3g41 n GLY 94 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3g41 s ASP 95 N -1.87 3.99 0.17 1.61 3.84 -1.26 -4.31 116.67 118.83 3g41 s ASP 95 Ca 0.00 -1.62 -0.34 0.00 -0.00 0.00 0.00 52.55 50.60 3g41 s ASP 95 Cb 0.00 0.39 -0.15 0.00 -1.38 0.00 0.00 42.92 41.78 3g41 s ASP 95 CO 0.00 -0.80 1.32 1.21 -0.00 0.00 0.00 175.17 176.89 3g41 n GLU 96 N -1.20 1.49 -3.77 2.11 2.13 -1.26 -3.43 120.64 116.71 3g41 n GLU 96 Ca -0.16 0.53 -0.36 0.00 0.66 0.00 0.00 57.16 57.83 3g41 n GLU 96 Cb 0.67 -2.14 -0.12 0.00 0.27 0.00 0.00 31.44 30.12 3g41 n GLU 96 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 3g41 s VAL 97 N 0.15 4.62 0.00 6.31 1.01 0.12 -4.96 120.40 127.65 3g41 s VAL 97 Ca 0.75 -0.07 0.00 0.00 0.00 0.00 0.00 61.98 62.66 3g41 s VAL 97 Cb -0.81 -3.16 0.00 0.00 0.00 0.00 0.00 36.38 32.42 3g41 s VAL 97 CO 0.48 0.34 0.66 0.00 0.00 0.00 0.00 175.10 176.58 3g41 n GLN 98 N 4.70 0.56 -3.57 2.72 6.02 -1.26 -2.64 117.38 123.90 3g41 n GLN 98 Ca -0.16 -0.84 -0.12 0.00 -0.01 0.00 0.00 57.00 55.88 3g41 n GLN 98 Cb 0.52 -0.95 -0.04 0.00 1.02 0.00 0.00 30.24 30.78 3g41 n GLN 98 CO 0.00 0.00 0.00 -1.83 -1.01 0.00 0.00 177.06 174.22 3g41 s GLU 99 N -0.37 1.10 0.26 -1.09 -1.05 -1.26 -1.36 118.70 114.94 3g41 s GLU 99 Ca 0.00 -0.55 0.12 0.00 -0.15 0.00 0.00 54.97 54.39 3g41 s GLU 99 Cb 0.00 0.50 -0.05 0.00 -0.44 0.00 0.00 34.13 34.14 3g41 s GLU 99 CO 0.00 -0.44 -0.18 -0.51 0.95 0.00 0.00 175.26 175.08 3g41 s LEU 100 N -2.60 2.63 -0.24 1.83 1.43 -0.05 -4.43 118.68 117.26 3g41 s LEU 100 Ca 0.01 -0.94 -0.09 0.00 -1.03 0.00 0.00 54.13 52.07 3g41 s LEU 100 Cb 0.01 -1.20 -0.04 0.00 0.03 0.00 0.00 46.19 44.99 3g41 s LEU 100 CO -0.10 0.05 0.13 -0.32 0.23 0.00 0.00 176.35 176.34 3g41 s MET 101 N -3.34 3.90 -0.08 1.70 -2.45 0.26 -1.19 119.30 118.10 3g41 s MET 101 Ca 0.28 -0.36 -0.19 0.00 -1.25 0.00 0.00 55.69 54.17 3g41 s MET 101 Cb -0.06 -3.46 -0.04 0.00 1.25 0.00 0.00 34.83 32.52 3g41 s MET 101 CO 0.14 -0.04 0.54 0.08 1.05 0.00 0.00 175.02 176.79 3g41 s VAL 102 N 1.30 5.11 -0.10 10.11 1.01 0.73 -0.94 120.40 137.63 3g41 s VAL 102 Ca 0.06 1.09 0.01 0.00 0.00 0.00 0.00 61.98 63.14 3g41 s VAL 102 Cb -0.15 -3.88 -0.02 0.00 0.00 0.00 0.00 36.38 32.34 3g41 s VAL 102 CO 0.06 0.34 -0.12 -0.69 0.00 0.00 0.00 175.10 174.68 3g41 s VAL 103 N 0.45 3.19 0.11 2.92 1.01 0.58 -0.27 120.40 128.38 3g41 s VAL 103 Ca 0.29 -0.64 -0.09 0.00 0.00 0.00 0.00 61.98 61.54 3g41 s VAL 103 Cb -0.16 -2.31 -0.00 0.00 0.00 0.00 0.00 36.38 33.91 3g41 s VAL 103 CO 0.13 0.55 0.22 -0.94 0.00 0.00 0.00 175.10 175.06 3g41 s SER 104 N -0.14 0.09 0.43 3.32 1.04 -0.88 -0.94 113.70 116.61 3g41 s SER 104 Ca -0.00 -0.69 -0.25 0.00 0.48 0.00 0.00 55.95 55.49 3g41 s SER 104 Cb -0.13 0.37 -0.08 0.00 0.10 0.00 0.00 66.02 66.27 3g41 s SER 104 CO 0.03 -0.77 1.26 -0.54 0.98 0.00 0.00 173.24 174.20 3g41 s LYS 105 N -3.88 3.83 0.52 4.02 1.02 -1.26 -0.42 119.74 123.57 3g41 s LYS 105 Ca 0.08 2.04 0.16 0.00 0.02 0.00 0.00 55.97 58.27 3g41 s LYS 105 Cb 0.04 -2.60 1.29 0.00 -0.52 0.00 0.00 37.83 36.04 3g41 s LYS 105 CO -0.08 -0.57 2.15 0.00 -0.92 0.00 0.00 175.35 175.93 3g41 h ARG 106 N 2.38 0.00 0.00 1.68 3.08 -1.45 -1.90 114.38 118.17 3g41 h ARG 106 Ca -0.50 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.55 3g41 h ARG 106 Cb 1.25 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.30 3g41 h ARG 106 CO 0.61 0.00 0.00 -1.13 -1.07 0.00 0.00 179.97 178.38 3g41 n SER 107 N -4.52 0.00 -4.71 7.04 3.41 -1.26 -4.88 113.62 108.70 3g41 n SER 107 Ca -0.03 -0.95 -0.42 0.00 -0.26 0.00 0.00 58.87 57.21 3g41 n SER 107 Cb 0.09 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.01 3g41 n SER 107 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 3g41 s LEU 108 N -1.94 4.37 -0.11 1.04 0.20 -0.72 -4.92 118.68 116.61 3g41 s LEU 108 Ca 0.41 2.66 -0.11 0.00 0.69 0.00 0.00 54.13 57.77 3g41 s LEU 108 Cb 0.19 -3.59 -0.27 0.00 -0.43 0.00 0.00 46.19 42.09 3g41 s LEU 108 CO 0.31 -0.87 0.45 -0.33 -0.29 0.00 0.00 176.35 175.63 3g41 h GLU 109 N 7.06 0.26 -6.86 1.98 5.08 -1.90 -3.46 114.58 116.74 3g41 h GLU 109 Ca -0.43 -0.44 -0.53 0.00 -1.00 0.00 0.00 59.36 56.96 3g41 h GLU 109 Cb 1.20 0.17 0.07 0.00 0.50 0.00 0.00 28.75 30.69 3g41 h GLU 109 CO 0.93 1.21 0.70 0.95 -1.00 0.00 0.00 179.01 181.79 3g41 s THR 110 N -2.52 2.57 0.34 1.13 -4.23 -1.26 -4.95 115.64 106.72 3g41 s THR 110 Ca -0.21 0.55 -0.29 0.00 -1.18 0.00 0.00 61.69 60.56 3g41 s THR 110 Cb 0.06 -3.35 -0.10 0.00 1.34 0.00 0.00 72.50 70.44 3g41 s THR 110 CO 0.77 0.12 1.35 -2.84 -0.54 0.00 0.00 174.62 173.48 3g41 s PRO 111 N -1.51 4.30 -0.10 3.99 0.02 -1.26 -4.96 135.00 135.49 3g41 s PRO 111 Ca 0.52 2.30 -0.30 0.00 0.02 0.00 0.00 61.00 63.54 3g41 s PRO 111 Cb -0.42 -3.05 -0.02 0.00 0.02 0.00 0.00 34.50 31.04 3g41 s PRO 111 CO 0.53 -0.27 1.06 0.54 -0.33 0.00 0.00 177.00 178.52 3g41 s VAL 112 N -1.11 4.64 0.00 3.83 0.11 -1.26 -4.62 120.40 121.99 3g41 s VAL 112 Ca 0.50 1.93 0.00 0.00 -2.93 0.00 0.00 61.98 61.47 3g41 s VAL 112 Cb -0.41 -4.24 0.00 0.00 -1.53 0.00 0.00 36.38 30.20 3g41 s VAL 112 CO 0.55 -0.00 0.00 0.18 -3.33 0.00 0.00 175.10 172.50 3g41 n LEU 113 N 5.11 -1.36 -4.80 2.54 4.77 -1.26 -4.99 117.00 117.02 3g41 n LEU 113 Ca 0.09 0.00 -0.33 0.00 -0.03 0.00 0.00 56.01 55.74 3g41 n LEU 113 Cb 0.48 -0.39 0.01 0.00 -2.33 0.00 0.00 43.42 41.19 3g41 n LEU 113 CO 0.53 0.00 0.72 -2.16 -1.33 0.00 0.00 177.39 175.15 3g41 s PRO 114 N -3.28 3.29 0.43 3.23 0.04 -1.26 -5.06 135.00 132.38 3g41 s PRO 114 Ca 0.00 1.27 0.22 0.00 0.04 0.00 0.00 61.00 62.53 3g41 s PRO 114 Cb 0.00 -2.02 0.95 0.00 0.04 0.00 0.00 34.50 33.47 3g41 s PRO 114 CO 0.00 -0.85 1.86 -0.07 0.04 0.00 0.00 177.00 177.98 3g41 h LEU 115 N 0.53 0.00 -2.33 -3.56 3.38 -1.94 -2.94 115.31 108.45 3g41 h LEU 115 Ca -0.47 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.52 3g41 h LEU 115 Cb 1.23 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.97 3g41 h LEU 115 CO 0.57 0.27 0.21 0.71 0.09 0.00 0.00 178.44 180.29 3g41 h THR 116 N 0.00 0.14 0.00 0.22 1.35 -1.90 -2.99 112.91 109.73 3g41 h THR 116 Ca -0.00 0.00 -0.06 0.00 -0.55 0.00 0.00 66.41 65.80 3g41 h THR 116 Cb 0.68 0.80 -0.01 0.00 -1.73 0.00 0.00 68.15 67.89 3g41 h THR 116 CO 0.03 0.00 -0.29 -0.61 -0.25 0.00 0.00 175.52 174.41 3g41 h GLN 117 N 0.00 0.00 -6.47 4.72 5.75 -1.80 -3.46 115.11 113.85 3g41 h GLN 117 Ca 0.03 0.00 -0.50 0.00 -0.15 0.00 0.00 58.65 58.04 3g41 h GLN 117 Cb 0.46 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 29.01 3g41 h GLN 117 CO -0.00 0.29 -0.20 0.71 -2.65 0.00 0.00 178.83 176.98 3g41 s TYR 118 N -3.19 3.49 0.33 3.99 2.02 -1.13 -4.98 117.35 117.88 3g41 s TYR 118 Ca 0.04 0.44 0.03 0.00 -0.37 0.00 0.00 57.07 57.21 3g41 s TYR 118 Cb 0.07 -1.95 0.64 0.00 -0.40 0.00 0.00 41.96 40.32 3g41 s TYR 118 CO 0.70 0.17 1.93 0.66 -1.57 0.00 0.00 175.55 177.44 3g41 h SER 119 N 1.22 0.79 -4.86 2.29 4.64 -1.91 -3.44 113.55 112.27 3g41 h SER 119 Ca -0.49 0.01 0.01 0.00 -0.47 0.00 0.00 61.79 60.85 3g41 h SER 119 Cb 1.21 -0.16 -0.14 0.00 -0.31 0.00 0.00 62.40 62.99 3g41 h SER 119 CO 0.64 0.50 0.30 -0.94 -0.87 0.00 0.00 176.83 176.46 3g41 s SER 120 N -6.10 -0.52 -0.16 4.97 1.04 -1.26 -4.75 113.70 106.92 3g41 s SER 120 Ca -0.11 0.12 0.01 0.00 0.48 0.00 0.00 55.95 56.46 3g41 s SER 120 Cb 0.20 0.52 0.02 0.00 0.10 0.00 0.00 66.02 66.86 3g41 s SER 120 CO 0.79 -0.80 -0.18 -0.69 0.98 0.00 0.00 173.24 173.34 3g41 s VAL 121 N -3.10 1.87 0.16 5.02 1.01 0.30 -4.15 120.40 121.51 3g41 s VAL 121 Ca 0.00 -0.83 -0.25 0.00 0.00 0.00 0.00 61.98 60.90 3g41 s VAL 121 Cb -0.01 -1.71 -0.08 0.00 0.00 0.00 0.00 36.38 34.59 3g41 s VAL 121 CO -0.08 0.51 0.77 0.00 0.00 0.00 0.00 175.10 176.30 3g41 s ALA 122 N 1.29 3.45 0.04 5.51 0.00 -0.84 -0.98 121.76 130.23 3g41 s ALA 122 Ca 0.03 0.35 -0.22 0.00 0.00 0.00 0.00 51.96 52.12 3g41 s ALA 122 Cb -0.13 -2.95 0.05 0.00 0.00 0.00 0.00 23.12 20.08 3g41 s ALA 122 CO -0.11 0.28 0.51 0.54 0.00 0.00 0.00 175.76 176.98 3g41 s VAL 123 N -1.08 0.03 0.19 0.00 0.11 -0.34 -0.88 120.40 118.44 3g41 s VAL 123 Ca 0.36 -0.26 -0.30 0.00 -2.93 0.00 0.00 61.98 58.85 3g41 s VAL 123 Cb -0.23 -0.96 -0.08 0.00 -1.53 0.00 0.00 36.38 33.58 3g41 s VAL 123 CO 0.26 -0.14 1.12 -1.58 -3.33 0.00 0.00 175.10 171.43 3g41 s GLN 124 N -2.32 4.58 0.63 1.54 0.74 -1.26 -0.83 119.66 122.74 3g41 s GLN 124 Ca -0.06 1.77 -0.19 0.00 0.05 0.00 0.00 55.36 56.93 3g41 s GLN 124 Cb -0.01 -3.26 -0.02 0.00 1.10 0.00 0.00 33.01 30.83 3g41 s GLN 124 CO -0.01 0.06 1.31 0.95 -0.55 0.00 0.00 175.29 177.05 3g41 s THR 125 N -0.34 2.03 0.00 -0.34 -4.23 0.99 -3.80 115.64 109.95 3g41 s THR 125 Ca 0.49 0.02 0.00 0.00 -1.18 0.00 0.00 61.69 61.02 3g41 s THR 125 Cb -0.30 -3.01 0.00 0.00 1.34 0.00 0.00 72.50 70.53 3g41 s THR 125 CO 0.36 -0.00 0.00 0.61 -0.54 0.00 0.00 174.62 175.05 3g41 n GLY 126 N 0.88 0.42 3.98 3.99 0.00 -1.26 -4.89 105.19 108.31 3g41 n GLY 126 Ca 0.15 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.98 3g41 n GLY 126 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3g41 s THR 127 N -2.01 3.99 0.23 2.61 -4.23 -1.25 -4.75 115.64 110.23 3g41 s THR 127 Ca 0.00 -1.03 0.13 0.00 -1.18 0.00 0.00 61.69 59.61 3g41 s THR 127 Cb 0.00 -3.38 0.01 0.00 1.34 0.00 0.00 72.50 70.48 3g41 s THR 127 CO 0.00 -0.15 1.63 0.10 -0.54 0.00 0.00 174.62 175.66 3g41 h TYR 128 N 0.92 0.00 -0.36 3.99 -0.00 -1.94 -2.66 116.97 116.91 3g41 h TYR 128 Ca -0.45 0.00 -0.13 0.00 -0.00 0.00 0.00 58.73 58.15 3g41 h TYR 128 Cb 1.26 0.00 -0.01 0.00 -0.00 0.00 0.00 36.73 37.97 3g41 h TYR 128 CO 0.43 0.56 -0.30 -0.56 -0.00 0.00 0.00 178.16 178.30 3g41 h GLN 129 N 0.00 0.77 -0.46 0.10 -0.00 -1.95 -1.05 115.11 112.52 3g41 h GLN 129 Ca -0.01 -0.35 0.02 0.00 -0.00 0.00 0.00 58.65 58.32 3g41 h GLN 129 Cb 1.07 -0.02 -0.03 0.00 -0.00 0.00 0.00 27.48 28.50 3g41 h GLN 129 CO 0.07 0.97 0.27 1.49 -0.00 0.00 0.00 178.83 181.64 3g41 h GLU 130 N 0.66 0.53 -0.55 0.06 4.81 -1.74 -1.86 114.58 116.49 3g41 h GLU 130 Ca 0.08 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.26 3g41 h GLU 130 Cb 0.83 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 30.06 3g41 h GLU 130 CO 0.07 0.35 0.29 1.25 -0.73 0.00 0.00 179.01 180.24 3g41 h HIS 131 N 0.55 0.78 -0.09 0.92 2.76 -1.26 -0.64 115.15 118.16 3g41 h HIS 131 Ca 0.19 -0.03 0.04 0.00 -2.20 0.00 0.00 60.37 58.37 3g41 h HIS 131 Cb 0.02 -0.24 -0.04 0.00 1.55 0.00 0.00 27.41 28.69 3g41 h HIS 131 CO -0.07 0.58 -0.17 -0.92 -1.30 0.00 0.00 177.93 176.05 3g41 h TYR 132 N 0.74 -0.45 -0.30 5.26 3.20 -1.03 -2.05 116.97 122.35 3g41 h TYR 132 Ca 0.19 0.02 0.01 0.00 3.14 0.00 0.00 58.73 62.10 3g41 h TYR 132 Cb 0.08 0.21 -0.02 0.00 1.54 0.00 0.00 36.73 38.54 3g41 h TYR 132 CO -0.01 -0.25 0.17 -0.07 -1.64 0.00 0.00 178.16 176.36 3g41 h LEU 133 N -0.24 0.27 -2.22 2.82 3.38 -0.98 -2.28 115.31 116.06 3g41 h LEU 133 Ca 0.08 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 3g41 h LEU 133 Cb 0.36 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.06 3g41 h LEU 133 CO -0.23 0.20 -0.03 -0.07 0.09 0.00 0.00 178.44 178.39 3g41 h LEU 134 N 0.34 0.00 -0.03 1.67 3.38 -1.04 -1.47 115.31 118.17 3g41 h LEU 134 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 3g41 h LEU 134 Cb 0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.76 3g41 h LEU 134 CO -0.06 0.03 0.00 -1.54 0.09 0.00 0.00 178.44 176.96 3g41 n SER 135 N -4.02 0.19 -4.73 -0.43 3.41 -0.78 -4.81 113.62 102.46 3g41 n SER 135 Ca -0.03 0.52 -0.36 0.00 -0.26 0.00 0.00 58.87 58.74 3g41 n SER 135 Cb 0.12 -0.57 -0.07 0.00 -0.26 0.00 0.00 64.21 63.43 3g41 n SER 135 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 3g41 s GLN 136 N -3.03 4.25 0.46 4.33 -1.52 -0.55 -5.06 119.66 118.53 3g41 s GLN 136 Ca 0.12 0.11 -0.24 0.00 -1.95 0.00 0.00 55.36 53.41 3g41 s GLN 136 Cb 0.16 -3.42 -0.07 0.00 -0.22 0.00 0.00 33.01 29.46 3g41 s GLN 136 CO 0.50 0.24 1.23 -2.14 -0.25 0.00 0.00 175.29 174.88 3g41 s PRO 137 N 0.45 3.72 0.00 2.91 0.02 -1.26 -3.50 135.00 137.34 3g41 s PRO 137 Ca 0.17 1.95 0.00 0.00 0.02 0.00 0.00 61.00 63.14 3g41 s PRO 137 Cb -0.13 -2.49 0.00 0.00 0.02 0.00 0.00 34.50 31.90 3g41 s PRO 137 CO 0.04 -0.63 0.00 0.41 -0.33 0.00 0.00 177.00 176.49 3g41 n GLY 138 N 0.57 1.63 3.59 0.52 0.00 -1.26 -4.89 105.19 105.35 3g41 n GLY 138 Ca 0.07 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.68 3g41 n GLY 138 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3g41 s ILE 139 N -3.35 5.08 -0.45 -0.61 1.01 -1.23 -4.40 121.20 117.25 3g41 s ILE 139 Ca 0.00 0.53 -0.23 0.00 0.00 0.00 0.00 60.65 60.95 3g41 s ILE 139 Cb 0.00 -3.85 0.03 0.00 0.01 0.00 0.00 42.46 38.65 3g41 s ILE 139 CO 0.00 -0.03 0.78 0.00 0.00 0.00 0.00 174.94 175.69 3g41 s VAL 141 N 3.26 5.07 -0.21 0.00 1.01 -1.26 -0.54 120.40 127.73 3g41 s VAL 141 Ca 0.29 0.07 -0.05 0.00 0.00 0.00 0.00 61.98 62.30 3g41 s VAL 141 Cb -0.12 -3.32 -0.02 0.00 0.00 0.00 0.00 36.38 32.92 3g41 s VAL 141 CO 0.22 0.42 -0.02 -0.13 0.00 0.00 0.00 175.10 175.60 3g41 s ARG 142 N 0.59 3.51 -0.14 2.72 0.52 -0.15 -4.91 118.95 121.09 3g41 s ARG 142 Ca 0.06 -0.57 -0.03 0.00 -0.52 0.00 0.00 55.73 54.67 3g41 s ARG 142 Cb -0.12 -3.06 -0.03 0.00 0.52 0.00 0.00 34.95 32.26 3g41 s ARG 142 CO 0.01 -0.09 -0.05 -1.12 0.02 0.00 0.00 175.30 174.06 3g41 s SER 143 N 1.25 4.67 0.21 0.23 0.01 -1.26 -1.20 113.70 117.61 3g41 s SER 143 Ca 0.03 -0.14 0.09 0.00 1.31 0.00 0.00 55.95 57.24 3g41 s SER 143 Cb -0.15 -1.68 -0.05 0.00 0.21 0.00 0.00 66.02 64.36 3g41 s SER 143 CO 0.00 0.20 -0.17 -0.36 0.41 0.00 0.00 173.24 173.32 3g41 s PHE 144 N 0.20 1.86 0.17 2.43 0.08 -0.01 -4.77 117.98 117.94 3g41 s PHE 144 Ca -0.03 -0.49 -0.11 0.00 0.12 0.00 0.00 56.93 56.42 3g41 s PHE 144 Cb -0.14 -0.87 0.06 0.00 -0.57 0.00 0.00 43.02 41.50 3g41 s PHE 144 CO 0.03 0.42 1.67 -0.44 -0.10 0.00 0.00 175.22 176.80 3g41 h ASP 145 N 2.73 0.92 -4.12 1.36 5.19 -1.94 0.28 116.42 120.83 3g41 h ASP 145 Ca -0.40 -0.25 -0.36 0.00 -0.62 0.00 0.00 57.03 55.40 3g41 h ASP 145 Cb 1.22 -0.24 -0.17 0.00 0.18 0.00 0.00 39.33 40.32 3g41 h ASP 145 CO 0.58 0.94 -0.74 -0.94 -3.12 0.00 0.00 179.24 175.96 3g41 s SER 146 N -6.34 1.76 0.23 6.45 1.04 -1.26 -4.69 113.70 110.89 3g41 s SER 146 Ca -0.12 -0.87 -0.07 0.00 0.48 0.00 0.00 55.95 55.37 3g41 s SER 146 Cb 0.13 -0.03 0.27 0.00 0.10 0.00 0.00 66.02 66.49 3g41 s SER 146 CO 0.83 -0.24 1.87 0.74 0.98 0.00 0.00 173.24 177.42 3g41 h THR 147 N 3.32 1.12 -0.48 2.02 2.02 -1.78 -2.15 112.91 116.98 3g41 h THR 147 Ca -0.38 -0.36 0.02 0.00 0.77 0.00 0.00 66.41 66.45 3g41 h THR 147 Cb 1.19 -0.03 -0.03 0.00 -1.74 0.00 0.00 68.15 67.55 3g41 h THR 147 CO 0.55 0.19 0.30 0.25 0.37 0.00 0.00 175.52 177.18 3g41 h LEU 148 N 1.06 0.50 -0.63 2.58 5.85 -1.97 -1.19 115.31 121.51 3g41 h LEU 148 Ca 0.35 -0.00 0.04 0.00 0.84 0.00 0.00 57.88 59.11 3g41 h LEU 148 Cb 0.03 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 40.90 3g41 h LEU 148 CO -0.12 0.36 0.36 -0.33 -0.34 0.00 0.00 178.44 178.37 3g41 h GLU 149 N 0.61 0.67 -0.53 1.25 5.08 -1.89 0.57 114.58 120.34 3g41 h GLU 149 Ca 0.19 -0.04 0.02 0.00 -1.00 0.00 0.00 59.36 58.53 3g41 h GLU 149 Cb -0.02 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.05 3g41 h GLU 149 CO -0.07 0.44 0.33 0.28 -1.00 0.00 0.00 179.01 178.99 3g41 h VAL 150 N 0.69 1.08 -0.31 3.13 2.07 -1.05 -1.68 116.25 120.17 3g41 h VAL 150 Ca 0.27 -0.22 -0.17 0.00 0.82 0.00 0.00 66.70 67.39 3g41 h VAL 150 Cb 0.11 0.37 -0.00 0.00 -1.52 0.00 0.00 31.29 30.25 3g41 h VAL 150 CO -0.14 0.12 -0.48 0.40 0.02 0.00 0.00 177.57 177.48 3g41 h ILE 151 N 0.65 1.28 0.00 4.57 2.04 -0.89 -3.15 117.51 122.01 3g41 h ILE 151 Ca 0.21 -1.66 -0.05 0.00 1.00 0.00 0.00 64.86 64.35 3g41 h ILE 151 Cb -0.01 1.57 -0.01 0.00 -0.74 0.00 0.00 36.82 37.63 3g41 h ILE 151 CO -0.08 0.55 -0.25 0.24 0.00 0.00 0.00 178.15 178.60 3g41 h MET 152 N 0.67 0.00 -0.77 2.37 2.86 -0.71 -1.08 114.93 118.27 3g41 h MET 152 Ca 0.03 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.62 3g41 h MET 152 Cb 1.09 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.71 3g41 h MET 152 CO 0.11 0.25 0.29 1.49 1.06 0.00 0.00 176.91 180.11 3g41 h GLU 153 N 0.00 1.16 -0.02 1.72 4.57 -1.27 -2.32 114.58 118.42 3g41 h GLU 153 Ca -0.00 -0.22 -0.16 0.00 -1.18 0.00 0.00 59.36 57.80 3g41 h GLU 153 Cb 0.55 -0.18 0.01 0.00 -0.16 0.00 0.00 28.75 28.97 3g41 h GLU 153 CO 0.03 0.95 -0.59 0.28 -1.18 0.00 0.00 179.01 178.50 3g41 h VAL 154 N 1.13 1.41 0.00 0.32 2.07 -1.44 -0.77 116.25 118.97 3g41 h VAL 154 Ca 0.26 -2.03 -0.04 0.00 0.82 0.00 0.00 66.70 65.70 3g41 h VAL 154 Cb 0.24 2.51 -0.01 0.00 -1.52 0.00 0.00 31.29 32.51 3g41 h VAL 154 CO -0.02 0.60 -0.20 -0.09 0.02 0.00 0.00 177.57 177.88 3g41 h ARG 155 N -0.05 0.00 -0.48 1.57 9.65 -1.15 -2.41 114.38 121.50 3g41 h ARG 155 Ca -0.07 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.81 3g41 h ARG 155 Cb 1.29 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.87 3g41 h ARG 155 CO 0.12 0.20 0.00 0.66 2.80 0.00 0.00 179.97 183.75 3g41 n TYR 156 N -4.11 1.40 -1.01 2.20 4.01 -0.88 -4.97 117.16 113.79 3g41 n TYR 156 Ca -0.02 -0.72 -0.00 0.00 -0.16 0.00 0.00 57.90 57.00 3g41 n TYR 156 Cb 0.27 -0.32 -0.00 0.00 -0.31 0.00 0.00 39.34 38.98 3g41 n TYR 156 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3g41 n GLY 157 N 0.42 0.47 0.11 2.72 0.00 -0.91 -4.93 105.19 103.07 3g41 n GLY 157 Ca 0.24 -0.28 -0.17 0.00 0.00 0.00 0.00 46.02 45.80 3g41 n GLY 157 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3g41 h LYS 158 N 0.68 0.28 -5.70 1.61 1.79 -1.40 -3.44 116.57 110.38 3g41 h LYS 158 Ca -0.01 -0.48 -0.64 0.00 -2.18 0.00 0.00 60.65 57.35 3g41 h LYS 158 Cb 0.07 0.18 -0.31 0.00 -1.58 0.00 0.00 32.23 30.58 3g41 h LYS 158 CO 0.01 1.19 -0.87 -1.12 -1.08 0.00 0.00 179.45 177.58 3g41 s SER 159 N -7.10 2.71 0.42 0.86 0.01 -0.85 -4.93 113.70 104.82 3g41 s SER 159 Ca -0.06 -0.45 0.22 0.00 1.31 0.00 0.00 55.95 56.96 3g41 s SER 159 Cb 0.07 -0.77 0.83 0.00 0.21 0.00 0.00 66.02 66.36 3g41 s SER 159 CO 0.87 0.20 1.80 1.55 0.41 0.00 0.00 173.24 178.07 3g41 h PRO 160 N 6.17 0.00 -4.26 12.44 0.13 -1.85 -3.34 132.00 141.28 3g41 h PRO 160 Ca -0.32 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.67 3g41 h PRO 160 Cb 1.18 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.16 3g41 h PRO 160 CO 0.47 0.28 -0.62 0.14 -0.23 0.00 0.00 178.00 178.05 3g41 s VAL 161 N -3.66 0.15 0.18 1.56 -7.23 -1.26 -4.32 120.40 105.83 3g41 s VAL 161 Ca 0.00 -1.78 0.02 0.00 -1.81 0.00 0.00 61.98 58.41 3g41 s VAL 161 Cb 0.11 -1.76 -0.05 0.00 0.56 0.00 0.00 36.38 35.24 3g41 s VAL 161 CO 0.66 -0.69 0.02 0.00 -0.31 0.00 0.00 175.10 174.78 3g41 s ALA 162 N -3.98 1.38 -0.11 1.32 0.00 -0.12 -2.00 121.76 118.26 3g41 s ALA 162 Ca 0.15 -1.63 0.02 0.00 0.00 0.00 0.00 51.96 50.50 3g41 s ALA 162 Cb 0.07 0.64 0.01 0.00 0.00 0.00 0.00 23.12 23.84 3g41 s ALA 162 CO -0.04 -0.35 -0.17 0.08 0.00 0.00 0.00 175.76 175.28 3g41 s VAL 163 N -3.69 1.64 0.28 0.00 1.01 -0.06 -0.31 120.40 119.27 3g41 s VAL 163 Ca 0.26 -0.73 0.09 0.00 0.00 0.00 0.00 61.98 61.60 3g41 s VAL 163 Cb 0.06 -1.48 -0.05 0.00 0.00 0.00 0.00 36.38 34.91 3g41 s VAL 163 CO 0.05 0.47 -0.12 -0.76 0.00 0.00 0.00 175.10 174.74 3g41 s LEU 164 N 0.92 2.57 0.43 3.92 1.43 -0.11 -4.53 118.68 123.30 3g41 s LEU 164 Ca -0.07 -1.12 -0.23 0.00 -1.03 0.00 0.00 54.13 51.68 3g41 s LEU 164 Cb -0.15 -0.82 -0.09 0.00 0.03 0.00 0.00 46.19 45.16 3g41 s LEU 164 CO -0.01 -0.19 1.06 -1.61 0.23 0.00 0.00 176.35 175.83 3g41 s GLU 165 N -3.64 4.04 0.34 1.70 2.02 -1.26 -0.57 118.70 121.32 3g41 s GLU 165 Ca 0.29 1.50 0.08 0.00 0.02 0.00 0.00 54.97 56.86 3g41 s GLU 165 Cb 0.00 -2.42 0.79 0.00 0.10 0.00 0.00 34.13 32.61 3g41 s GLU 165 CO 0.12 -0.25 1.83 -1.35 0.02 0.00 0.00 175.26 175.63 3g41 h PRO 166 N 2.23 0.70 -0.08 0.39 0.11 -1.91 0.13 132.00 133.57 3g41 h PRO 166 Ca -0.49 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 65.55 3g41 h PRO 166 Cb 1.22 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 32.17 3g41 h PRO 166 CO 0.61 0.46 -0.06 0.66 -0.21 0.00 0.00 178.00 179.47 3g41 h SER 167 N 0.72 0.20 -0.16 -2.05 4.64 -1.95 -1.83 113.55 113.11 3g41 h SER 167 Ca 0.51 -0.44 -0.01 0.00 -0.47 0.00 0.00 61.79 61.37 3g41 h SER 167 Cb 0.83 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 62.86 3g41 h SER 167 CO -0.27 0.60 0.06 0.58 -0.87 0.00 0.00 176.83 176.93 3g41 h VAL 168 N -0.20 1.17 -0.69 0.95 2.07 -1.84 -3.12 116.25 114.59 3g41 h VAL 168 Ca 0.02 -0.51 0.13 0.00 0.82 0.00 0.00 66.70 67.16 3g41 h VAL 168 Cb 0.53 1.20 -0.09 0.00 -1.52 0.00 0.00 31.29 31.41 3g41 h VAL 168 CO 0.02 0.16 0.20 1.23 0.02 0.00 0.00 177.57 179.20 3g41 h GLY 169 N 0.10 0.96 1.40 2.17 0.00 -0.74 -0.30 103.07 106.67 3g41 h GLY 169 Ca 0.05 -0.08 -0.06 0.00 0.00 0.00 0.00 47.33 47.25 3g41 h GLY 169 CO -0.00 -0.12 0.05 3.21 0.00 0.00 0.00 176.54 179.67 3g41 h ARG 170 N 0.33 0.74 0.00 4.80 3.08 -1.30 -2.00 114.38 120.03 3g41 h ARG 170 Ca 0.37 -0.17 -0.01 0.00 0.07 0.00 0.00 59.98 60.24 3g41 h ARG 170 Cb 0.57 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.52 3g41 h ARG 170 CO -0.42 0.72 -0.05 0.28 -1.07 0.00 0.00 179.97 179.43 3g41 h VAL 171 N 0.70 1.65 0.00 2.04 2.07 -1.36 -3.35 116.25 118.00 3g41 h VAL 171 Ca 0.15 -1.97 -0.12 0.00 0.82 0.00 0.00 66.70 65.58 3g41 h VAL 171 Cb 0.36 2.97 -0.02 0.00 -1.52 0.00 0.00 31.29 33.09 3g41 h VAL 171 CO 0.01 0.52 -0.55 -0.37 0.02 0.00 0.00 177.57 177.19 3g41 h VAL 172 N -0.78 1.06 0.00 2.57 -1.51 -1.07 -3.02 116.25 113.50 3g41 h VAL 172 Ca -0.01 -2.18 0.00 0.00 -1.23 0.00 0.00 66.70 63.28 3g41 h VAL 172 Cb 0.87 2.31 0.00 0.00 -2.13 0.00 0.00 31.29 32.34 3g41 h VAL 172 CO 0.01 0.54 0.00 0.18 -1.23 0.00 0.00 177.57 177.07 3g41 n LEU 173 N -3.40 0.00 -0.07 4.19 4.77 -0.75 -2.54 117.00 119.19 3g41 n LEU 173 Ca 0.01 0.47 0.09 0.00 -0.03 0.00 0.00 56.01 56.55 3g41 n LEU 173 Cb 0.68 -0.47 0.46 0.00 -2.33 0.00 0.00 43.42 41.76 3g41 n LEU 173 CO 0.40 -0.04 1.18 0.11 -1.33 0.00 0.00 177.39 177.72 3g41 h LYS 174 N 0.00 0.47 -0.00 3.23 1.57 -1.66 -2.35 116.57 117.83 3g41 h LYS 174 Ca 0.00 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 3g41 h LYS 174 Cb 0.43 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.63 3g41 h LYS 174 CO 0.00 0.31 -0.13 -0.25 -0.57 0.00 0.00 179.45 178.81 3g41 n ASP 175 N -4.47 0.59 -3.45 0.86 8.00 -1.05 -4.52 116.55 112.51 3g41 n ASP 175 Ca 0.08 -0.65 -0.26 0.00 0.71 0.00 0.00 54.79 54.67 3g41 n ASP 175 Cb 0.28 -0.03 -0.09 0.00 -0.02 0.00 0.00 41.12 41.25 3g41 n ASP 175 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3g41 n PHE 176 N -0.88 1.38 0.35 1.24 3.72 -0.88 -4.98 117.46 117.40 3g41 n PHE 176 Ca 0.14 -3.83 0.14 0.00 -0.05 0.00 0.00 57.45 53.86 3g41 n PHE 176 Cb 0.29 -0.33 0.58 0.00 -0.94 0.00 0.00 39.48 39.08 3g41 n PHE 176 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 3g41 h PRO 177 N 4.69 0.00 -0.00 -1.08 0.13 -1.79 -1.88 132.00 132.07 3g41 h PRO 177 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 3g41 h PRO 177 Cb 0.80 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.93 3g41 h PRO 177 CO 0.60 0.00 -0.02 0.09 -0.23 0.00 0.00 178.00 178.44 3g41 n ASN 178 N -2.58 0.15 -4.92 1.44 3.02 -1.26 -4.83 115.26 106.27 3g41 n ASN 178 Ca 0.01 -0.57 -0.30 0.00 -0.03 0.00 0.00 54.58 53.70 3g41 n ASN 178 Cb 0.25 -0.14 -0.04 0.00 -0.61 0.00 0.00 39.78 39.25 3g41 n ASN 178 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3g41 s LEU 179 N -2.34 4.35 0.11 3.41 1.43 -0.71 -1.15 118.68 123.79 3g41 s LEU 179 Ca 0.36 0.27 0.09 0.00 -1.03 0.00 0.00 54.13 53.81 3g41 s LEU 179 Cb 0.21 -2.97 -0.04 0.00 0.03 0.00 0.00 46.19 43.42 3g41 s LEU 179 CO 0.43 0.14 -0.22 0.68 0.23 0.00 0.00 176.35 177.61 3g41 s VAL 180 N -1.56 1.78 -0.12 -1.59 -7.23 0.45 -4.82 120.40 107.30 3g41 s VAL 180 Ca 0.35 -1.58 -0.06 0.00 -1.81 0.00 0.00 61.98 58.88 3g41 s VAL 180 Cb -0.13 -1.62 -0.04 0.00 0.56 0.00 0.00 36.38 35.16 3g41 s VAL 180 CO 0.28 -0.05 0.09 0.00 -0.31 0.00 0.00 175.10 175.11 3g41 s ALA 181 N -1.18 3.66 -0.03 1.32 0.00 -1.26 -2.08 121.76 122.20 3g41 s ALA 181 Ca 0.08 -0.70 0.02 0.00 0.00 0.00 0.00 51.96 51.36 3g41 s ALA 181 Cb -0.10 -1.85 0.01 0.00 0.00 0.00 0.00 23.12 21.18 3g41 s ALA 181 CO 0.05 0.54 -0.08 -0.08 0.00 0.00 0.00 175.76 176.18 3g41 s THR 182 N -0.76 0.71 0.20 0.00 -1.32 0.62 -4.95 115.64 110.14 3g41 s THR 182 Ca 0.13 -0.31 -0.30 0.00 -1.21 0.00 0.00 61.69 60.00 3g41 s THR 182 Cb -0.12 -0.65 -0.08 0.00 -1.51 0.00 0.00 72.50 70.14 3g41 s THR 182 CO 0.03 0.23 1.22 -0.60 -2.21 0.00 0.00 174.62 173.29 3g41 s ARG 183 N 0.30 4.47 -0.22 7.08 3.52 -1.26 -0.19 118.95 132.65 3g41 s ARG 183 Ca -0.05 1.92 0.01 0.00 -0.13 0.00 0.00 55.73 57.49 3g41 s ARG 183 Cb -0.09 -3.22 0.05 0.00 -1.56 0.00 0.00 34.95 30.12 3g41 s ARG 183 CO 0.00 -0.11 -0.10 -1.17 -0.81 0.00 0.00 175.30 173.11 3g41 s LEU 184 N -0.32 2.61 0.37 -0.88 0.20 -0.33 -4.91 118.68 115.43 3g41 s LEU 184 Ca 0.53 -1.05 -0.26 0.00 0.69 0.00 0.00 54.13 54.04 3g41 s LEU 184 Cb -0.34 -1.32 -0.09 0.00 -0.43 0.00 0.00 46.19 44.01 3g41 s LEU 184 CO 0.38 -0.16 1.17 -1.61 -0.29 0.00 0.00 176.35 175.83 3g41 s GLU 185 N 1.31 4.19 0.14 1.98 2.02 -1.26 -0.87 118.70 126.21 3g41 s GLU 185 Ca -0.04 1.85 -0.07 0.00 0.02 0.00 0.00 54.97 56.74 3g41 s GLU 185 Cb -0.17 -2.79 -0.06 0.00 0.10 0.00 0.00 34.13 31.21 3g41 s GLU 185 CO -0.07 -0.21 0.41 -0.51 0.02 0.00 0.00 175.26 174.90 3g41 s LEU 186 N -2.26 4.28 0.63 1.80 1.43 -0.46 -4.88 118.68 119.21 3g41 s LEU 186 Ca 0.54 0.70 -0.16 0.00 -1.03 0.00 0.00 54.13 54.18 3g41 s LEU 186 Cb -0.31 -3.27 -0.01 0.00 0.03 0.00 0.00 46.19 42.63 3g41 s LEU 186 CO 0.40 0.07 1.12 -2.16 0.23 0.00 0.00 176.35 176.00 3g41 s PRO 187 N -2.45 2.93 0.43 1.29 0.04 -1.26 -4.86 135.00 131.13 3g41 s PRO 187 Ca 0.39 1.45 0.12 0.00 0.04 0.00 0.00 61.00 63.00 3g41 s PRO 187 Cb -0.12 -1.96 0.99 0.00 0.04 0.00 0.00 34.50 33.44 3g41 s PRO 187 CO 0.22 -1.16 2.02 -1.00 0.04 0.00 0.00 177.00 177.12 3g41 h PRO 188 N 0.31 0.42 0.00 0.56 0.13 -1.99 0.00 132.00 131.44 3g41 h PRO 188 Ca -0.48 -0.03 -0.00 0.00 -0.87 0.00 0.00 66.00 64.63 3g41 h PRO 188 Cb 1.25 -0.09 -0.00 0.00 0.13 0.00 0.00 31.00 32.29 3g41 h PRO 188 CO 0.55 0.28 -0.01 1.05 -0.23 0.00 0.00 178.00 179.64 3g41 h GLU 189 N 0.43 0.00 -0.02 0.86 9.09 -2.03 -2.35 114.58 120.56 3g41 h GLU 189 Ca 0.21 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.62 3g41 h GLU 189 Cb 0.29 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.39 3g41 h GLU 189 CO -0.05 0.01 -0.09 0.00 0.05 0.00 0.00 179.01 178.93 3g41 n TRP 191 N 0.83 0.94 -4.45 0.00 5.03 -0.89 -4.97 117.44 113.93 3g41 n TRP 191 Ca 0.14 0.77 -0.22 0.00 3.03 0.00 0.00 57.50 61.23 3g41 n TRP 191 Cb 0.52 -2.20 -0.10 0.00 -1.03 0.00 0.00 31.31 28.50 3g41 n TRP 191 CO 0.00 0.00 0.00 0.14 -0.03 0.00 0.00 177.69 177.80 3g41 s VAL 192 N -0.39 1.66 0.00 -0.99 -7.23 -1.08 -4.92 120.40 107.44 3g41 s VAL 192 Ca 0.72 -2.11 0.00 0.00 -1.81 0.00 0.00 61.98 58.78 3g41 s VAL 192 Cb -0.90 -2.52 0.00 0.00 0.56 0.00 0.00 36.38 33.53 3g41 s VAL 192 CO 0.54 -0.25 0.00 0.18 -0.31 0.00 0.00 175.10 175.26 3g41 n LEU 193 N -0.62 0.00 0.00 1.32 4.77 -0.28 0.12 117.00 122.31 3g41 n LEU 193 Ca -0.05 0.00 -0.04 0.00 -0.03 0.00 0.00 56.01 55.89 3g41 n LEU 193 Cb 0.64 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.76 3g41 n LEU 193 CO 0.40 -0.38 0.08 0.61 -1.33 0.00 0.00 177.39 176.78 3g41 n GLY 194 N 5.00 -2.17 3.76 -0.72 0.00 -1.22 -3.84 105.19 106.00 3g41 n GLY 194 Ca 0.00 -1.51 -0.40 0.00 0.00 0.00 0.00 46.02 44.11 3g41 n GLY 194 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g41 s GLY 196 N -0.91 0.93 -0.33 0.00 0.00 -0.21 -1.42 107.32 105.37 3g41 s GLY 196 Ca 0.44 -0.84 -0.24 0.00 0.00 0.00 0.00 44.72 44.08 3g41 s GLY 196 CO 0.40 -0.73 0.82 -2.27 0.00 0.00 0.00 173.10 171.32 3g41 s LEU 197 N -0.63 4.08 0.12 0.66 0.20 -0.11 -4.38 118.68 118.62 3g41 s LEU 197 Ca 0.07 0.60 -0.30 0.00 0.69 0.00 0.00 54.13 55.19 3g41 s LEU 197 Cb -0.07 -3.11 -0.07 0.00 -0.43 0.00 0.00 46.19 42.51 3g41 s LEU 197 CO -0.00 -0.69 1.12 -0.83 -0.29 0.00 0.00 176.35 175.66 3g41 s GLY 198 N 1.70 2.72 0.01 7.98 0.00 -0.31 -1.41 107.32 118.01 3g41 s GLY 198 Ca 0.34 0.79 0.02 0.00 0.00 0.00 0.00 44.72 45.87 3g41 s GLY 198 CO 0.14 1.78 -0.06 0.14 0.00 0.00 0.00 173.10 175.10 3g41 s VAL 199 N 0.29 0.40 0.17 1.40 1.01 0.38 -1.45 120.40 122.60 3g41 s VAL 199 Ca 0.52 -0.56 -0.33 0.00 0.00 0.00 0.00 61.98 61.61 3g41 s VAL 199 Cb -0.28 -0.41 -0.14 0.00 0.00 0.00 0.00 36.38 35.55 3g41 s VAL 199 CO 0.32 -0.12 1.51 0.00 0.00 0.00 0.00 175.10 176.82 3g41 n ALA 200 N 2.33 1.07 0.23 5.51 0.00 -1.26 -0.89 120.51 127.50 3g41 n ALA 200 Ca -0.17 0.44 0.09 0.00 0.00 0.00 0.00 53.44 53.80 3g41 n ALA 200 Cb 0.57 -2.30 0.52 0.00 0.00 0.00 0.00 19.45 18.23 3g41 n ALA 200 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 3g41 h LYS 201 N 5.35 0.00 -0.91 0.00 3.64 -1.89 -2.93 116.57 119.82 3g41 h LYS 201 Ca -0.45 0.00 -0.23 0.00 -1.27 0.00 0.00 60.65 58.70 3g41 h LYS 201 Cb 1.27 0.00 -0.14 0.00 -0.41 0.00 0.00 32.23 32.95 3g41 h LYS 201 CO 0.84 0.24 0.29 -0.40 -2.27 0.00 0.00 179.45 178.15 3g41 n ASP 202 N -3.59 3.72 -3.21 4.20 3.85 -1.26 -4.40 116.55 115.85 3g41 n ASP 202 Ca -0.01 -2.92 -0.27 0.00 -0.71 0.00 0.00 54.79 50.89 3g41 n ASP 202 Cb 0.37 -0.69 -0.06 0.00 -1.35 0.00 0.00 41.12 39.39 3g41 n ASP 202 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 3g41 n ARG 203 N -0.26 2.73 -0.03 0.11 1.74 -1.11 -4.93 116.66 114.92 3g41 n ARG 203 Ca 0.33 -4.68 0.23 0.00 -0.77 0.00 0.00 57.85 52.96 3g41 n ARG 203 Cb 1.15 -2.21 0.72 0.00 -1.02 0.00 0.00 32.46 31.10 3g41 n ARG 203 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 3g41 h PRO 204 N 3.66 0.00 0.35 5.56 0.13 -1.86 -2.35 132.00 137.49 3g41 h PRO 204 Ca 0.17 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.28 3g41 h PRO 204 Cb 0.61 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.74 3g41 h PRO 204 CO 0.81 0.00 -0.17 1.49 -0.23 0.00 0.00 178.00 179.90 3g41 h GLU 205 N 0.00 -0.46 -0.37 0.86 4.22 -1.97 -3.04 114.58 113.82 3g41 h GLU 205 Ca 0.29 0.03 0.08 0.00 0.08 0.00 0.00 59.36 59.85 3g41 h GLU 205 Cb 1.29 0.10 -0.02 0.00 0.50 0.00 0.00 28.75 30.63 3g41 h GLU 205 CO -0.00 -0.31 0.26 1.49 -2.18 0.00 0.00 179.01 178.27 3g41 h GLU 206 N -0.68 0.13 -0.75 1.92 4.81 -1.88 -0.04 114.58 118.10 3g41 h GLU 206 Ca -0.05 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.17 3g41 h GLU 206 Cb 0.37 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.68 3g41 h GLU 206 CO 0.08 0.09 0.46 0.82 -0.73 0.00 0.00 179.01 179.73 3g41 h ILE 207 N 0.13 1.21 -0.48 2.32 2.04 -1.52 -2.54 117.51 118.68 3g41 h ILE 207 Ca 0.17 -0.44 -0.14 0.00 1.00 0.00 0.00 64.86 65.46 3g41 h ILE 207 Cb 0.51 0.15 -0.01 0.00 -0.74 0.00 0.00 36.82 36.73 3g41 h ILE 207 CO -0.02 0.21 -0.23 0.06 0.00 0.00 0.00 178.15 178.17 3g41 h GLN 208 N 1.02 1.00 -0.43 2.37 -0.00 -0.88 -0.79 115.11 117.39 3g41 h GLN 208 Ca 0.27 -0.44 -0.10 0.00 -0.00 0.00 0.00 58.65 58.38 3g41 h GLN 208 Cb -0.05 -0.03 -0.02 0.00 -0.00 0.00 0.00 27.48 27.38 3g41 h GLN 208 CO -0.05 1.11 -0.15 1.15 -0.00 0.00 0.00 178.83 180.89 3g41 h THR 209 N 0.85 1.26 -0.01 1.86 2.02 -1.40 -0.45 112.91 117.05 3g41 h THR 209 Ca 0.11 -1.24 -0.25 0.00 0.77 0.00 0.00 66.41 65.80 3g41 h THR 209 Cb 0.82 1.09 0.01 0.00 -1.74 0.00 0.00 68.15 68.33 3g41 h THR 209 CO 0.07 0.42 -0.98 0.40 0.37 0.00 0.00 175.52 175.80 3g41 h ILE 210 N 0.72 1.32 -0.37 3.11 2.04 -1.43 -1.92 117.51 120.99 3g41 h ILE 210 Ca 0.11 -2.30 0.07 0.00 1.00 0.00 0.00 64.86 63.75 3g41 h ILE 210 Cb 0.65 2.36 -0.07 0.00 -0.74 0.00 0.00 36.82 39.02 3g41 h ILE 210 CO 0.05 0.70 -0.07 -0.61 0.00 0.00 0.00 178.15 178.22 3g41 h GLN 211 N 0.35 0.02 -0.79 2.37 4.15 -1.00 -0.15 115.11 120.06 3g41 h GLN 211 Ca -0.10 -0.00 -0.05 0.00 0.77 0.00 0.00 58.65 59.26 3g41 h GLN 211 Cb 1.63 -0.01 -0.03 0.00 0.21 0.00 0.00 27.48 29.28 3g41 h GLN 211 CO 0.19 0.02 0.30 0.37 -1.93 0.00 0.00 178.83 177.77 3g41 h GLN 212 N 0.03 1.19 -0.34 1.69 5.75 -1.07 -1.69 115.11 120.67 3g41 h GLN 212 Ca 0.18 -0.23 0.03 0.00 -0.15 0.00 0.00 58.65 58.48 3g41 h GLN 212 Cb 0.27 -0.19 -0.03 0.00 1.07 0.00 0.00 27.48 28.60 3g41 h GLN 212 CO -0.36 0.97 0.16 0.00 -2.65 0.00 0.00 178.83 176.95 3g41 h ALA 213 N 1.17 0.41 -0.04 3.38 0.00 -0.77 0.11 119.26 123.52 3g41 h ALA 213 Ca 0.26 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.19 3g41 h ALA 213 Cb 0.24 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 3g41 h ALA 213 CO -0.02 -0.22 0.03 0.82 0.00 0.00 0.00 179.25 179.86 3g41 h ILE 214 N 0.33 1.03 -0.80 0.00 2.04 -0.81 -1.18 117.51 118.11 3g41 h ILE 214 Ca 0.15 -0.08 -0.01 0.00 1.00 0.00 0.00 64.86 65.92 3g41 h ILE 214 Cb 0.07 1.01 -0.04 0.00 -0.74 0.00 0.00 36.82 37.12 3g41 h ILE 214 CO -0.11 0.03 0.45 0.74 0.00 0.00 0.00 178.15 179.25 3g41 h THR 215 N 0.03 1.23 -0.55 -0.27 2.02 -1.16 -1.08 112.91 113.13 3g41 h THR 215 Ca 0.02 -0.57 -0.03 0.00 0.77 0.00 0.00 66.41 66.60 3g41 h THR 215 Cb 0.02 0.15 -0.02 0.00 -1.74 0.00 0.00 68.15 66.55 3g41 h THR 215 CO -0.00 0.26 0.22 0.44 0.37 0.00 0.00 175.52 176.80 3g41 h ASP 216 N 1.11 0.77 -0.25 4.18 3.32 -0.59 0.18 116.42 125.13 3g41 h ASP 216 Ca 0.28 -0.17 -0.05 0.00 0.02 0.00 0.00 57.03 57.11 3g41 h ASP 216 Cb 0.01 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.34 3g41 h ASP 216 CO -0.05 0.73 -0.00 -0.07 -1.72 0.00 0.00 179.24 178.13 3g41 h LEU 217 N 0.76 0.53 -0.24 1.55 3.38 -0.91 -1.75 115.31 118.63 3g41 h LEU 217 Ca 0.18 -0.11 -0.11 0.00 0.09 0.00 0.00 57.88 57.93 3g41 h LEU 217 Cb 0.21 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.82 3g41 h LEU 217 CO -0.01 0.61 -0.29 0.11 0.09 0.00 0.00 178.44 178.94 3g41 h LYS 218 N 0.54 0.62 -0.95 1.13 1.57 -0.76 -0.11 116.57 118.61 3g41 h LYS 218 Ca 0.11 -0.35 0.21 0.00 -1.87 0.00 0.00 60.65 58.75 3g41 h LYS 218 Cb 0.35 0.02 -0.08 0.00 0.08 0.00 0.00 32.23 32.60 3g41 h LYS 218 CO 0.01 0.95 0.61 0.77 -0.57 0.00 0.00 179.45 181.23 3g41 h SER 219 N 0.32 0.52 0.30 0.86 0.02 -0.39 -1.26 113.55 113.93 3g41 h SER 219 Ca 0.03 0.06 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 3g41 h SER 219 Cb 0.87 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.37 3g41 h SER 219 CO 0.07 0.19 -0.14 -0.62 -1.14 0.00 0.00 176.83 175.19 3g41 n GLU 220 N -4.59 0.78 -1.06 3.45 1.02 -0.68 -4.92 120.64 114.64 3g41 n GLU 220 Ca 0.21 -0.33 -0.02 0.00 -0.02 0.00 0.00 57.16 57.00 3g41 n GLU 220 Cb 0.68 -1.49 -0.01 0.00 -0.02 0.00 0.00 31.44 30.60 3g41 n GLU 220 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3g41 n GLY 221 N 1.29 0.50 0.18 0.62 0.00 -0.48 -4.94 105.19 102.36 3g41 n GLY 221 Ca 0.14 -0.21 -0.14 0.00 0.00 0.00 0.00 46.02 45.82 3g41 n GLY 221 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3g41 h VAL 222 N 0.00 1.32 -0.31 1.61 2.07 -1.26 -2.31 116.25 117.37 3g41 h VAL 222 Ca -0.04 -1.46 -0.12 0.00 0.82 0.00 0.00 66.70 65.90 3g41 h VAL 222 Cb 0.37 1.75 -0.01 0.00 -1.52 0.00 0.00 31.29 31.88 3g41 h VAL 222 CO 0.06 0.45 -0.29 0.40 0.02 0.00 0.00 177.57 178.21 3g41 h ILE 223 N 0.27 1.28 -0.64 4.57 2.04 -1.89 -1.66 117.51 121.48 3g41 h ILE 223 Ca 0.03 -1.41 -0.04 0.00 1.00 0.00 0.00 64.86 64.45 3g41 h ILE 223 Cb 0.84 1.36 -0.03 0.00 -0.74 0.00 0.00 36.82 38.26 3g41 h ILE 223 CO 0.07 0.46 0.26 1.56 0.00 0.00 0.00 178.15 180.49 3g41 h GLN 224 N 0.55 0.95 -0.69 2.37 7.50 -1.87 0.50 115.11 124.43 3g41 h GLN 224 Ca 0.07 -0.17 -0.05 0.00 0.50 0.00 0.00 58.65 59.00 3g41 h GLN 224 Cb 0.78 -0.16 -0.03 0.00 0.05 0.00 0.00 27.48 28.13 3g41 h GLN 224 CO 0.06 0.80 0.25 1.03 -1.50 0.00 0.00 178.83 179.47 3g41 h SER 225 N 0.89 0.97 -0.48 1.46 0.87 -1.10 -2.70 113.55 113.46 3g41 h SER 225 Ca 0.21 -0.19 -0.08 0.00 -1.23 0.00 0.00 61.79 60.51 3g41 h SER 225 Cb 0.20 -0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 61.88 3g41 h SER 225 CO -0.02 0.89 0.01 -0.07 -0.53 0.00 0.00 176.83 177.12 3g41 h LEU 226 N 0.99 0.87 -1.01 2.23 3.38 -0.84 -1.18 115.31 119.74 3g41 h LEU 226 Ca 0.23 -0.22 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 3g41 h LEU 226 Cb 0.24 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.73 3g41 h LEU 226 CO -0.01 0.92 0.44 0.71 0.09 0.00 0.00 178.44 180.58 3g41 h THR 227 N 0.83 1.24 -0.20 0.22 1.35 -0.70 -1.69 112.91 113.97 3g41 h THR 227 Ca 0.16 -0.60 -0.05 0.00 -0.55 0.00 0.00 66.41 65.36 3g41 h THR 227 Cb 0.48 0.15 -0.01 0.00 -1.73 0.00 0.00 68.15 67.04 3g41 h THR 227 CO 0.02 0.27 -0.08 0.11 -0.25 0.00 0.00 175.52 175.60 3g41 h LYS 228 N 1.14 0.40 -0.87 4.72 1.57 -1.33 0.58 116.57 122.78 3g41 h LYS 228 Ca 0.29 -0.17 0.15 0.00 -1.87 0.00 0.00 60.65 59.05 3g41 h LYS 228 Cb 0.04 -0.02 -0.10 0.00 0.08 0.00 0.00 32.23 32.23 3g41 h LYS 228 CO -0.04 0.68 0.46 -0.22 -0.57 0.00 0.00 179.45 179.75 3g41 h LYS 229 N 0.10 0.62 -0.63 3.15 3.64 -0.92 -2.43 116.57 120.10 3g41 h LYS 229 Ca 0.05 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 3g41 h LYS 229 Cb 0.55 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.23 3g41 h LYS 229 CO 0.03 0.41 0.00 0.91 -2.27 0.00 0.00 179.45 178.52 3g41 n TRP 230 N -4.86 1.50 -2.64 1.91 7.02 -0.66 -4.95 117.44 114.76 3g41 n TRP 230 Ca 0.18 -0.63 -0.18 0.00 -1.02 0.00 0.00 57.50 55.85 3g41 n TRP 230 Cb 0.45 -0.26 0.01 0.00 -2.42 0.00 0.00 31.31 29.09 3g41 n TRP 230 CO 0.00 0.00 0.00 1.04 -2.02 0.00 0.00 177.69 176.71 3g41 n GLN 231 N 1.04 -2.90 -0.01 -0.99 6.02 -0.79 -4.83 117.38 114.93 3g41 n GLN 231 Ca 0.26 0.81 0.09 0.00 -0.01 0.00 0.00 57.00 58.15 3g41 n GLN 231 Cb 0.91 -5.34 -0.14 0.00 1.02 0.00 0.00 30.24 26.69 3g41 n GLN 231 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 3g41 n LEU 232 N -3.03 0.01 -4.58 1.08 4.77 0.20 -4.81 117.00 110.63 3g41 n LEU 232 Ca -0.15 -0.00 -0.41 0.00 -0.03 0.00 0.00 56.01 55.42 3g41 n LEU 232 Cb 0.63 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.69 3g41 n LEU 232 CO 0.33 0.00 1.92 -1.54 -1.33 0.00 0.00 177.39 176.77 3g41 n SER 233 N -2.12 2.91 -3.43 -1.43 3.41 -0.95 -4.87 113.62 107.14 3g41 n SER 233 Ca -0.03 -0.06 -0.27 0.00 -0.26 0.00 0.00 58.87 58.25 3g41 n SER 233 Cb 0.47 -1.57 -0.10 0.00 -0.26 0.00 0.00 64.21 62.75 3g41 n SER 233 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3g41 n GLU 234 N 8.86 0.32 0.27 4.33 1.02 -1.26 -4.89 120.64 129.29 3g41 n GLU 234 Ca 0.33 -3.28 0.11 0.00 -0.02 0.00 0.00 57.16 54.30 3g41 n GLU 234 Cb 0.48 -1.72 0.74 0.00 -0.02 0.00 0.00 31.44 30.92 3g41 n GLU 234 CO 0.00 0.00 0.00 -0.24 1.18 0.00 0.00 177.13 178.07 3g41 h VAL 235 N 4.59 0.75 -1.37 2.62 3.04 -2.04 -3.25 116.25 120.58 3g41 h VAL 235 Ca 0.26 -0.23 0.45 0.00 -1.01 0.00 0.00 66.70 66.16 3g41 h VAL 235 Cb 0.90 1.14 -0.12 0.00 -2.01 0.00 0.00 31.29 31.19 3g41 h VAL 235 CO 0.40 0.06 0.90 0.00 -1.01 0.00 0.00 177.57 177.92 3g41 h ALA 236 N 1.94 2.84 0.00 3.17 0.00 -1.99 -3.54 119.26 121.68 3g41 h ALA 236 Ca -0.00 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3g41 h ALA 236 Cb 0.13 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3g41 h ALA 236 CO 0.01 -1.47 0.00 2.48 0.00 0.00 0.00 179.25 180.27