#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3m4r s GLN 2 N 0.00 1.01 -0.43 0.00 2.00 -1.26 -5.18 119.66 115.80 3m4r s GLN 2 Ca 0.00 -0.09 -0.14 0.00 -2.00 0.00 0.00 55.36 53.13 3m4r s GLN 2 Cb 0.00 0.47 0.05 0.00 0.80 0.00 0.00 33.01 34.34 3m4r s GLN 2 CO 0.00 -0.39 0.32 1.21 -0.50 0.00 0.00 175.29 175.94 3m4r s ASN 3 N -1.91 6.01 -0.21 6.67 3.84 -1.26 -4.99 114.94 123.09 3m4r s ASN 3 Ca -0.03 -1.19 0.15 0.00 0.21 0.00 0.00 52.86 52.00 3m4r s ASN 3 Cb -0.01 -2.13 0.80 0.00 -0.55 0.00 0.00 41.25 39.37 3m4r s ASN 3 CO -0.02 -0.54 1.73 0.54 -2.79 0.00 0.00 177.10 176.01 3m4r n ARG 4 N 5.12 4.63 -2.55 0.43 1.74 -1.26 -4.96 116.66 119.81 3m4r n ARG 4 Ca -0.12 -3.10 -0.43 0.00 -0.77 0.00 0.00 57.85 53.44 3m4r n ARG 4 Cb 0.45 -2.18 -0.02 0.00 -1.02 0.00 0.00 32.46 29.69 3m4r n ARG 4 CO 0.00 0.00 0.00 -0.46 -1.52 0.00 0.00 177.63 175.65 3m4r s TRP 5 N -2.53 2.97 -0.10 -1.55 -0.11 -1.26 -4.88 118.94 111.48 3m4r s TRP 5 Ca 0.54 1.06 0.03 0.00 1.22 0.00 0.00 56.10 58.95 3m4r s TRP 5 Cb 0.40 -3.78 -0.08 0.00 -1.50 0.00 0.00 33.47 28.51 3m4r s TRP 5 CO 0.18 -1.15 -0.06 0.00 -4.62 0.00 0.00 176.95 171.30 3m4r n ALA 6 N 7.13 1.78 -1.22 5.86 0.00 -1.26 -5.07 120.51 127.74 3m4r n ALA 6 Ca 0.13 -0.47 -0.29 0.00 0.00 0.00 0.00 53.44 52.81 3m4r n ALA 6 Cb 0.47 0.21 0.15 0.00 0.00 0.00 0.00 19.45 20.28 3m4r n ALA 6 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3m4r s GLU 7 N -2.21 0.92 0.00 0.00 0.41 -1.26 -5.00 118.70 111.57 3m4r s GLU 7 Ca -0.11 0.66 0.00 0.00 -0.41 0.00 0.00 54.97 55.11 3m4r s GLU 7 Cb 0.03 -1.78 0.00 0.00 -1.78 0.00 0.00 34.13 30.60 3m4r s GLU 7 CO 0.27 -2.43 0.00 0.25 -0.49 0.00 0.00 175.26 172.86 3m4r n THR 8 N -3.99 0.00 -4.01 3.63 -2.24 -1.26 -5.09 114.28 101.32 3m4r n THR 8 Ca 0.06 0.00 -0.34 0.00 -2.27 0.00 0.00 64.05 61.50 3m4r n THR 8 Cb 0.56 -0.27 -0.10 0.00 -2.10 0.00 0.00 70.33 68.43 3m4r n THR 8 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3m4r s LYS 9 N -1.33 3.96 0.06 -0.78 3.01 -1.26 -5.10 119.74 118.30 3m4r s LYS 9 Ca 0.00 -0.34 0.06 0.00 -1.01 0.00 0.00 55.97 54.67 3m4r s LYS 9 Cb 0.00 -3.21 -0.03 0.00 -1.01 0.00 0.00 37.83 33.59 3m4r s LYS 9 CO 0.00 0.29 -0.15 -0.06 0.51 0.00 0.00 175.35 175.93 3m4r s PHE 10 N 0.32 1.33 -0.02 3.18 0.08 -1.26 -5.04 117.98 116.58 3m4r s PHE 10 Ca 0.03 -0.40 0.27 0.00 0.12 0.00 0.00 56.93 56.95 3m4r s PHE 10 Cb -0.12 -0.77 0.94 0.00 -0.57 0.00 0.00 43.02 42.50 3m4r s PHE 10 CO 0.00 0.07 1.83 -0.44 -0.10 0.00 0.00 175.22 176.58 3m4r h ASP 11 N 4.57 0.00 -4.92 1.36 3.32 -1.99 -3.47 116.42 115.29 3m4r h ASP 11 Ca -0.40 0.00 0.04 0.00 0.02 0.00 0.00 57.03 56.68 3m4r h ASP 11 Cb 1.18 0.00 -0.12 0.00 0.22 0.00 0.00 39.33 40.61 3m4r h ASP 11 CO 0.42 0.10 0.31 -0.94 -1.72 0.00 0.00 179.24 177.41 3m4r s SER 12 N -6.00 -0.45 0.24 6.45 1.04 -1.26 -5.02 113.70 108.69 3m4r s SER 12 Ca 0.02 -0.10 -0.06 0.00 0.48 0.00 0.00 55.95 56.30 3m4r s SER 12 Cb 0.08 0.55 0.32 0.00 0.10 0.00 0.00 66.02 67.08 3m4r s SER 12 CO 0.61 -0.92 1.84 0.44 0.98 0.00 0.00 173.24 176.19 3m4r h ASP 13 N 2.00 0.77 -0.57 7.02 3.32 -1.99 -2.00 116.42 124.97 3m4r h ASP 13 Ca -0.28 0.02 -0.05 0.00 0.02 0.00 0.00 57.03 56.74 3m4r h ASP 13 Cb 1.28 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 40.67 3m4r h ASP 13 CO 0.34 0.49 0.18 0.40 -1.72 0.00 0.00 179.24 178.92 3m4r h ILE 14 N 0.90 1.24 -0.91 0.35 2.04 -1.97 -1.89 117.51 117.26 3m4r h ILE 14 Ca 0.36 -0.81 0.08 0.00 1.00 0.00 0.00 64.86 65.49 3m4r h ILE 14 Cb 0.20 0.69 -0.07 0.00 -0.74 0.00 0.00 36.82 36.89 3m4r h ILE 14 CO -0.18 0.31 0.56 0.44 0.00 0.00 0.00 178.15 179.28 3m4r h ASP 15 N 0.80 0.87 -0.13 1.72 3.32 -1.87 -0.45 116.42 120.68 3m4r h ASP 15 Ca 0.18 0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.25 3m4r h ASP 15 Cb 0.29 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.68 3m4r h ASP 15 CO -0.01 0.53 0.03 -0.08 -1.72 0.00 0.00 179.24 178.00 3m4r h GLU 16 N 0.99 0.21 -0.35 3.56 4.81 -0.97 -1.79 114.58 121.04 3m4r h GLU 16 Ca 0.41 -0.05 -0.06 0.00 -0.13 0.00 0.00 59.36 59.53 3m4r h GLU 16 Cb 0.25 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.59 3m4r h GLU 16 CO -0.20 0.36 -0.03 -0.24 -0.73 0.00 0.00 179.01 178.17 3m4r h VAL 17 N 0.01 1.21 -0.30 0.32 3.04 -1.14 -2.10 116.25 117.29 3m4r h VAL 17 Ca 0.04 -0.87 -0.02 0.00 -1.01 0.00 0.00 66.70 64.84 3m4r h VAL 17 Cb 0.24 0.97 -0.01 0.00 -2.01 0.00 0.00 31.29 30.48 3m4r h VAL 17 CO -0.00 0.30 0.12 0.58 -1.01 0.00 0.00 177.57 177.55 3m4r h VAL 18 N 0.54 1.18 -0.24 1.51 2.07 -0.97 -1.08 116.25 119.25 3m4r h VAL 18 Ca 0.11 -0.56 0.04 0.00 0.82 0.00 0.00 66.70 67.10 3m4r h VAL 18 Cb 0.38 0.99 -0.04 0.00 -1.52 0.00 0.00 31.29 31.11 3m4r h VAL 18 CO 0.02 0.19 0.02 0.22 0.02 0.00 0.00 177.57 178.04 3m4r h TYR 19 N 0.34 0.02 -0.84 1.57 3.20 -1.00 -0.15 116.97 120.11 3m4r h TYR 19 Ca 0.10 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.97 3m4r h TYR 19 Cb 0.19 0.03 -0.04 0.00 1.54 0.00 0.00 36.73 38.45 3m4r h TYR 19 CO -0.00 -0.01 0.47 0.78 -1.64 0.00 0.00 178.16 177.75 3m4r h GLY 20 N 0.10 1.25 0.94 1.82 0.00 -1.25 -2.50 103.07 103.43 3m4r h GLY 20 Ca 0.11 -0.56 -0.01 0.00 0.00 0.00 0.00 47.33 46.88 3m4r h GLY 20 CO -0.18 0.53 0.15 1.76 0.00 0.00 0.00 176.54 178.81 3m4r h SER 21 N 1.17 0.41 -0.62 0.19 0.02 -0.64 -2.20 113.55 111.89 3m4r h SER 21 Ca 0.30 -0.12 0.04 0.00 -0.84 0.00 0.00 61.79 61.17 3m4r h SER 21 Cb 0.01 -0.11 -0.05 0.00 0.14 0.00 0.00 62.40 62.40 3m4r h SER 21 CO -0.05 0.42 0.36 0.03 -1.14 0.00 0.00 176.83 176.44 3m4r h ARG 22 N 0.38 0.66 -0.36 3.45 3.08 -0.78 -0.49 114.38 120.31 3m4r h ARG 22 Ca 0.11 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.12 3m4r h ARG 22 Cb 0.11 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.00 3m4r h ARG 22 CO -0.01 0.44 0.23 -0.07 -1.07 0.00 0.00 179.97 179.49 3m4r h LEU 23 N 0.68 0.42 -0.27 3.04 3.38 -1.15 -0.99 115.31 120.42 3m4r h LEU 23 Ca 0.27 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.19 3m4r h LEU 23 Cb 0.11 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 3m4r h LEU 23 CO -0.15 0.32 0.08 0.40 0.09 0.00 0.00 178.44 179.19 3m4r h ILE 24 N 0.48 1.20 0.00 1.22 1.08 -1.12 -2.73 117.51 117.65 3m4r h ILE 24 Ca 0.13 -0.64 0.00 0.00 -0.39 0.00 0.00 64.86 63.96 3m4r h ILE 24 Cb -0.04 1.12 0.00 0.00 -3.07 0.00 0.00 36.82 34.83 3m4r h ILE 24 CO -0.03 0.21 0.00 0.61 -0.69 0.00 0.00 178.15 178.25 3m4r n GLY 25 N -0.61 -1.15 0.21 5.37 0.00 -0.22 -2.45 105.19 106.34 3m4r n GLY 25 Ca -0.03 -0.03 0.10 0.00 0.00 0.00 0.00 46.02 46.06 3m4r n GLY 25 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3m4r h SER 26 N 0.00 0.00 -3.63 1.61 4.64 -0.85 -3.40 113.55 111.92 3m4r h SER 26 Ca 0.00 0.00 -0.69 0.00 -0.47 0.00 0.00 61.79 60.63 3m4r h SER 26 Cb 0.33 0.00 -0.20 0.00 -0.31 0.00 0.00 62.40 62.22 3m4r h SER 26 CO 0.00 0.20 -0.46 -0.62 -0.87 0.00 0.00 176.83 175.08 3m4r s ASP 27 N -6.20 6.06 0.28 4.97 -1.08 -1.03 -4.96 116.67 114.72 3m4r s ASP 27 Ca 0.03 -0.63 0.23 0.00 -0.52 0.00 0.00 52.55 51.67 3m4r s ASP 27 Cb 0.08 -2.14 1.04 0.00 -1.46 0.00 0.00 42.92 40.44 3m4r s ASP 27 CO 0.66 -0.32 1.71 -0.81 0.52 0.00 0.00 175.17 176.93 3m4r n PRO 28 N 5.12 0.19 0.00 4.34 -0.05 -1.26 -1.06 135.00 142.28 3m4r n PRO 28 Ca -0.12 0.48 0.14 0.00 -0.05 0.00 0.00 63.50 63.95 3m4r n PRO 28 Cb 0.49 -1.91 0.62 0.00 -0.05 0.00 0.00 33.50 32.65 3m4r n PRO 28 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 175.50 175.20 3m4r n ASP 29 N -2.27 0.16 -0.11 3.54 8.00 -1.26 -3.35 116.55 121.27 3m4r n ASP 29 Ca 0.01 -0.03 -0.20 0.00 0.71 0.00 0.00 54.79 55.28 3m4r n ASP 29 Cb 0.19 -0.25 -0.09 0.00 -0.02 0.00 0.00 41.12 40.94 3m4r n ASP 29 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3m4r n LEU 30 N -1.31 2.34 -3.74 0.64 4.77 -0.23 -2.70 117.00 116.78 3m4r n LEU 30 Ca 0.11 0.08 -0.29 0.00 -0.03 0.00 0.00 56.01 55.88 3m4r n LEU 30 Cb 0.29 -0.73 -0.12 0.00 -2.33 0.00 0.00 43.42 40.53 3m4r n LEU 30 CO 0.26 0.69 -0.19 -0.69 -1.33 0.00 0.00 177.39 176.12 3m4r s VAL 31 N -2.43 1.78 -1.16 4.08 1.01 -0.67 -3.33 120.40 119.68 3m4r s VAL 31 Ca -0.31 -3.13 -0.05 0.00 0.00 0.00 0.00 61.98 58.48 3m4r s VAL 31 Cb 0.10 -2.22 0.25 0.00 0.00 0.00 0.00 36.38 34.51 3m4r s VAL 31 CO 0.46 -0.97 1.73 0.00 0.00 0.00 0.00 175.10 176.32 3m4r n LEU 32 N 2.95 6.76 0.00 3.92 -0.00 -1.21 -4.59 117.00 124.82 3m4r n LEU 32 Ca 0.15 -5.03 0.00 0.00 -0.00 0.00 0.00 56.01 51.13 3m4r n LEU 32 Cb 0.36 -1.33 0.00 0.00 -0.00 0.00 0.00 43.42 42.45 3m4r n LEU 32 CO 0.24 1.67 0.00 0.61 -0.00 0.00 0.00 177.39 179.90 3m4r n GLY 34 N 1.66 0.00 0.00 1.47 0.00 -1.26 -5.17 105.19 101.89 3m4r n GLY 34 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.38 3m4r n GLY 34 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3m4r n GLY 35 N 0.00 2.26 0.00 -0.02 0.00 -1.26 -4.85 105.19 101.32 3m4r n GLY 35 Ca 0.00 -2.09 0.00 0.00 0.00 0.00 0.00 46.02 43.93 3m4r n GLY 35 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3m4r n GLY 36 N 5.00 0.91 3.55 -0.02 0.00 -1.26 -4.85 105.19 108.52 3m4r n GLY 36 Ca 0.00 -1.73 -0.15 0.00 0.00 0.00 0.00 46.02 44.14 3m4r n GLY 36 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3m4r s ASN 37 N -1.00 -0.53 0.27 1.61 2.20 0.12 -4.90 114.94 112.71 3m4r s ASN 37 Ca 0.00 0.61 0.03 0.00 -0.94 0.00 0.00 52.86 52.56 3m4r s ASN 37 Cb 0.00 0.47 -0.06 0.00 -2.00 0.00 0.00 41.25 39.67 3m4r s ASN 37 CO 0.00 -0.48 0.04 0.42 -2.94 0.00 0.00 177.10 174.14 3m4r s THR 38 N -1.08 1.03 0.04 0.54 -4.23 -1.26 -0.46 115.64 110.22 3m4r s THR 38 Ca -0.06 -2.02 -0.27 0.00 -1.18 0.00 0.00 61.69 58.15 3m4r s THR 38 Cb -0.00 -2.58 0.08 0.00 1.34 0.00 0.00 72.50 71.34 3m4r s THR 38 CO 0.06 -0.14 0.70 -0.94 -0.54 0.00 0.00 174.62 173.76 3m4r s SER 39 N -3.38 -0.56 -0.02 3.99 1.04 -0.66 -1.46 113.70 112.65 3m4r s SER 39 Ca 0.33 0.30 0.01 0.00 0.48 0.00 0.00 55.95 57.08 3m4r s SER 39 Cb 0.07 0.53 0.01 0.00 0.10 0.00 0.00 66.02 66.73 3m4r s SER 39 CO 0.12 -0.74 -0.03 0.54 0.98 0.00 0.00 173.24 174.11 3m4r s VAL 40 N -2.51 0.35 -0.14 5.02 0.11 -0.57 -2.57 120.40 120.10 3m4r s VAL 40 Ca -0.03 -0.10 -0.21 0.00 -2.93 0.00 0.00 61.98 58.71 3m4r s VAL 40 Cb -0.01 -0.36 -0.03 0.00 -1.53 0.00 0.00 36.38 34.45 3m4r s VAL 40 CO -0.03 0.15 0.63 -0.54 -3.33 0.00 0.00 175.10 171.98 3m4r s LYS 41 N 0.46 4.31 0.15 1.54 1.02 0.37 -1.22 119.74 126.38 3m4r s LYS 41 Ca -0.05 0.68 -0.04 0.00 0.02 0.00 0.00 55.97 56.58 3m4r s LYS 41 Cb -0.08 -3.51 -0.03 0.00 -0.52 0.00 0.00 37.83 33.69 3m4r s LYS 41 CO -0.01 -0.07 0.15 -0.08 -0.92 0.00 0.00 175.35 174.43 3m4r s THR 42 N 1.32 0.08 -0.18 2.17 -1.32 0.50 -4.93 115.64 113.28 3m4r s THR 42 Ca 0.31 -1.70 -0.06 0.00 -1.21 0.00 0.00 61.69 59.03 3m4r s THR 42 Cb -0.16 -1.98 -0.03 0.00 -1.51 0.00 0.00 72.50 68.81 3m4r s THR 42 CO 0.13 -0.38 0.03 -0.89 -2.21 0.00 0.00 174.62 171.30 3m4r s THR 43 N -4.02 4.42 0.08 5.08 2.01 -1.26 -0.64 115.64 121.31 3m4r s THR 43 Ca 0.22 -0.16 -0.02 0.00 0.31 0.00 0.00 61.69 62.04 3m4r s THR 43 Cb 0.06 -2.98 -0.04 0.00 0.01 0.00 0.00 72.50 69.55 3m4r s THR 43 CO 0.02 0.46 0.02 -1.61 -0.69 0.00 0.00 174.62 172.81 3m4r s GLU 44 N 0.50 0.75 -0.08 4.92 2.02 -0.75 -4.97 118.70 121.09 3m4r s GLU 44 Ca 0.01 -1.28 -0.15 0.00 0.02 0.00 0.00 54.97 53.56 3m4r s GLU 44 Cb -0.13 0.23 -0.05 0.00 0.10 0.00 0.00 34.13 34.28 3m4r s GLU 44 CO 0.02 -0.18 0.38 -0.98 0.02 0.00 0.00 175.26 174.52 3m4r s ARG 45 N -3.96 4.09 0.73 1.61 1.04 -1.26 -0.05 118.95 121.15 3m4r s ARG 45 Ca 0.13 0.32 -0.01 0.00 -1.04 0.00 0.00 55.73 55.12 3m4r s ARG 45 Cb 0.08 -3.33 0.13 0.00 -2.04 0.00 0.00 34.95 29.79 3m4r s ARG 45 CO -0.06 0.44 1.01 0.16 -0.04 0.00 0.00 175.30 176.82 3m4r s ASP 46 N -0.24 4.28 0.46 -2.89 1.47 0.17 -4.89 116.67 115.02 3m4r s ASP 46 Ca 0.22 -0.36 0.17 0.00 1.18 0.00 0.00 52.55 53.76 3m4r s ASP 46 Cb -0.15 0.01 1.13 0.00 -0.34 0.00 0.00 42.92 43.56 3m4r s ASP 46 CO 0.10 -1.91 1.97 1.12 0.68 0.00 0.00 175.17 177.12 3m4r h HIS 47 N -0.58 0.34 -0.15 2.11 2.07 -1.89 0.57 115.15 117.61 3m4r h HIS 47 Ca -0.36 0.01 0.00 0.00 -2.85 0.00 0.00 60.37 57.17 3m4r h HIS 47 Cb 1.26 -0.11 0.00 0.00 2.57 0.00 0.00 27.41 31.14 3m4r h HIS 47 CO -0.24 0.15 0.00 0.00 -3.07 0.00 0.00 177.93 174.76 3m4r n ALA 48 N -2.55 2.48 -1.12 6.11 0.00 -1.26 -4.88 120.51 119.30 3m4r n ALA 48 Ca 0.11 -0.28 -0.04 0.00 0.00 0.00 0.00 53.44 53.23 3m4r n ALA 48 Cb 0.46 -1.00 -0.02 0.00 0.00 0.00 0.00 19.45 18.90 3m4r n ALA 48 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3m4r n GLY 49 N 0.76 0.67 3.78 0.00 0.00 0.19 -5.03 105.19 105.55 3m4r n GLY 49 Ca 0.06 -0.40 -0.39 0.00 0.00 0.00 0.00 46.02 45.29 3m4r n GLY 49 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3m4r s ARG 50 N -1.76 4.43 -0.20 1.61 0.52 -1.25 -4.74 118.95 117.55 3m4r s ARG 50 Ca 0.00 0.97 -0.24 0.00 -0.52 0.00 0.00 55.73 55.95 3m4r s ARG 50 Cb 0.00 -3.29 -0.02 0.00 0.52 0.00 0.00 34.95 32.16 3m4r s ARG 50 CO 0.00 0.50 0.76 0.42 0.02 0.00 0.00 175.30 177.00 3m4r s ILE 51 N -0.76 4.92 0.09 1.52 -1.09 -1.26 0.46 121.20 125.07 3m4r s ILE 51 Ca 0.34 1.46 -0.01 0.00 -2.23 0.00 0.00 60.65 60.21 3m4r s ILE 51 Cb -0.21 -4.06 -0.04 0.00 -1.58 0.00 0.00 42.46 36.57 3m4r s ILE 51 CO 0.22 0.03 -0.00 0.27 -1.23 0.00 0.00 174.94 174.23 3m4r s ILE 52 N 2.24 0.25 -0.21 2.92 -4.36 0.93 -4.97 121.20 118.00 3m4r s ILE 52 Ca 0.34 -1.87 -0.21 0.00 -0.26 0.00 0.00 60.65 58.66 3m4r s ILE 52 Cb -0.16 -1.75 -0.02 0.00 1.25 0.00 0.00 42.46 41.77 3m4r s ILE 52 CO 0.10 -0.77 0.63 -0.55 0.24 0.00 0.00 174.94 174.59 3m4r s SER 53 N -2.99 6.65 -0.06 4.36 0.15 -1.26 -1.81 113.70 118.74 3m4r s SER 53 Ca 0.14 0.79 0.04 0.00 0.70 0.00 0.00 55.95 57.63 3m4r s SER 53 Cb 0.07 -2.34 -0.00 0.00 -1.71 0.00 0.00 66.02 62.04 3m4r s SER 53 CO -0.05 -0.30 -0.20 -0.69 1.20 0.00 0.00 173.24 173.20 3m4r s VAL 54 N 2.07 1.70 -0.37 4.45 1.01 0.19 -4.40 120.40 125.04 3m4r s VAL 54 Ca 0.28 -0.84 -0.20 0.00 0.00 0.00 0.00 61.98 61.21 3m4r s VAL 54 Cb -0.16 -1.46 0.01 0.00 0.00 0.00 0.00 36.38 34.77 3m4r s VAL 54 CO 0.10 0.48 0.62 -0.22 0.00 0.00 0.00 175.10 176.08 3m4r s LEU 55 N 0.14 4.33 -0.45 3.92 2.96 0.58 -0.37 118.68 129.79 3m4r s LEU 55 Ca -0.09 0.01 -0.18 0.00 -0.22 0.00 0.00 54.13 53.65 3m4r s LEU 55 Cb -0.14 -2.74 0.03 0.00 0.50 0.00 0.00 46.19 43.84 3m4r s LEU 55 CO 0.04 -0.62 0.50 -0.13 -1.32 0.00 0.00 176.35 174.82 3m4r s ARG 56 N 2.69 3.11 0.04 1.98 1.81 -0.35 -0.43 118.95 127.80 3m4r s ARG 56 Ca 0.23 -0.80 0.08 0.00 -1.72 0.00 0.00 55.73 53.52 3m4r s ARG 56 Cb -0.14 -4.01 -0.03 0.00 -0.45 0.00 0.00 34.95 30.32 3m4r s ARG 56 CO 0.16 -0.97 -0.23 0.54 -0.68 0.00 0.00 175.30 174.11 3m4r s VAL 57 N 2.28 1.89 0.26 3.52 0.11 -0.50 -1.51 120.40 126.45 3m4r s VAL 57 Ca 0.13 -1.28 -0.29 0.00 -2.93 0.00 0.00 61.98 57.61 3m4r s VAL 57 Cb -0.18 -1.63 -0.14 0.00 -1.53 0.00 0.00 36.38 32.90 3m4r s VAL 57 CO 0.13 0.29 1.09 1.17 -3.33 0.00 0.00 175.10 174.45 3m4r n LYS 58 N 1.83 1.38 -4.64 1.54 0.00 -0.53 -0.71 118.16 117.03 3m4r n LYS 58 Ca -0.17 0.49 -0.32 0.00 0.00 0.00 0.00 58.31 58.30 3m4r n LYS 58 Cb 0.53 -1.92 -0.06 0.00 0.00 0.00 0.00 35.03 33.58 3m4r n LYS 58 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 3m4r s ASN 59 N -0.35 4.23 0.00 3.14 2.20 0.12 -1.33 114.94 122.95 3m4r s ASN 59 Ca 0.63 -1.62 0.32 0.00 -0.94 0.00 0.00 52.86 51.24 3m4r s ASN 59 Cb -0.73 0.60 1.85 0.00 -2.00 0.00 0.00 41.25 40.97 3m4r s ASN 59 CO 0.57 -0.94 2.20 -1.54 -2.94 0.00 0.00 177.10 174.46 3m4r n SER 60 N -1.38 0.00 0.00 3.54 3.41 -0.74 -3.89 113.62 114.56 3m4r n SER 60 Ca -0.18 -0.88 0.14 0.00 -0.26 0.00 0.00 58.87 57.69 3m4r n SER 60 Cb 0.67 -0.04 0.66 0.00 -0.26 0.00 0.00 64.21 65.24 3m4r n SER 60 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3m4r n GLY 61 N 1.03 -1.40 3.45 5.00 0.00 -1.26 -4.91 105.19 107.10 3m4r n GLY 61 Ca 0.23 -0.11 -0.12 0.00 0.00 0.00 0.00 46.02 46.01 3m4r n GLY 61 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3m4r s SER 62 N -2.85 -0.54 0.69 1.61 0.15 -1.25 -5.01 113.70 106.50 3m4r s SER 62 Ca 0.19 0.12 -0.11 0.00 0.70 0.00 0.00 55.95 56.85 3m4r s SER 62 Cb 0.19 0.54 0.00 0.00 -1.71 0.00 0.00 66.02 65.05 3m4r s SER 62 CO 0.50 -0.84 1.06 0.54 1.20 0.00 0.00 173.24 175.70 3m4r s ASN 63 N -2.42 5.43 0.34 5.45 2.20 -1.26 -4.82 114.94 119.86 3m4r s ASN 63 Ca -0.00 1.62 0.02 0.00 -0.94 0.00 0.00 52.86 53.56 3m4r s ASN 63 Cb -0.01 -2.50 0.59 0.00 -2.00 0.00 0.00 41.25 37.34 3m4r s ASN 63 CO -0.08 -1.41 1.97 -0.07 -2.94 0.00 0.00 177.10 174.57 3m4r h LEU 64 N -0.65 0.72 -1.40 3.54 3.38 -1.88 -3.11 115.31 115.91 3m4r h LEU 64 Ca -0.44 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 57.48 3m4r h LEU 64 Cb 1.21 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.75 3m4r h LEU 64 CO 0.57 0.57 0.33 1.23 0.09 0.00 0.00 178.44 181.22 3m4r h GLY 65 N 0.87 0.78 -0.63 0.83 0.00 -1.78 -2.97 103.07 100.17 3m4r h GLY 65 Ca 0.21 -0.31 -0.01 0.00 0.00 0.00 0.00 47.33 47.22 3m4r h GLY 65 CO -0.04 0.30 -0.29 -1.30 0.00 0.00 0.00 176.54 175.22 3m4r n THR 66 N -4.43 1.76 -1.79 4.70 -2.24 -1.23 -4.58 114.28 106.48 3m4r n THR 66 Ca 0.05 -2.40 -0.33 0.00 -2.27 0.00 0.00 64.05 59.10 3m4r n THR 66 Cb 0.07 -0.11 0.04 0.00 -2.10 0.00 0.00 70.33 68.23 3m4r n THR 66 CO 0.00 0.00 0.00 -0.51 -0.57 0.00 0.00 175.07 173.99 3m4r s ILE 67 N -2.64 3.31 0.10 2.28 2.07 -1.13 -4.94 121.20 120.25 3m4r s ILE 67 Ca 0.32 0.61 0.02 0.00 -1.41 0.00 0.00 60.65 60.19 3m4r s ILE 67 Cb 0.30 -3.14 -0.01 0.00 0.13 0.00 0.00 42.46 39.75 3m4r s ILE 67 CO -0.02 -0.38 0.06 -0.90 -1.91 0.00 0.00 174.94 171.79 3m4r n ASP 68 N -2.36 0.36 0.21 4.50 5.68 -1.26 -4.93 116.55 118.75 3m4r n ASP 68 Ca 0.10 -1.61 0.06 0.00 -0.50 0.00 0.00 54.79 52.84 3m4r n ASP 68 Cb 0.52 0.39 0.56 0.00 -1.14 0.00 0.00 41.12 41.45 3m4r n ASP 68 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 3m4r h SER 69 N 0.52 0.07 0.49 -1.12 4.64 -1.97 -0.07 113.55 116.11 3m4r h SER 69 Ca -0.08 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.24 3m4r h SER 69 Cb 0.34 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.41 3m4r h SER 69 CO 0.12 0.11 0.00 0.03 -0.87 0.00 0.00 176.83 176.22 3m4r h ARG 70 N 0.08 0.00 0.00 4.77 3.08 -2.01 -2.42 114.38 117.88 3m4r h ARG 70 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.07 3m4r h ARG 70 Cb 0.11 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.16 3m4r h ARG 70 CO 0.00 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.31 3m4r n GLY 71 N -0.54 -0.98 3.13 0.04 0.00 -0.04 -4.69 105.19 102.11 3m4r n GLY 71 Ca -0.01 -0.07 -0.33 0.00 0.00 0.00 0.00 46.02 45.61 3m4r n GLY 71 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3m4r s PHE 72 N -2.00 2.97 -0.14 1.61 0.40 -0.91 -0.70 117.98 119.20 3m4r s PHE 72 Ca 0.16 -1.80 -0.09 0.00 -0.60 0.00 0.00 56.93 54.60 3m4r s PHE 72 Cb 0.07 -1.95 -0.04 0.00 0.51 0.00 0.00 43.02 41.61 3m4r s PHE 72 CO 0.12 -0.81 0.17 0.99 0.70 0.00 0.00 175.22 176.40 3m4r s THR 73 N 1.25 5.42 -0.18 0.64 2.01 0.11 -4.76 115.64 120.14 3m4r s THR 73 Ca 0.00 0.29 -0.24 0.00 0.31 0.00 0.00 61.69 62.05 3m4r s THR 73 Cb -0.16 -3.47 -0.02 0.00 0.01 0.00 0.00 72.50 68.87 3m4r s THR 73 CO -0.09 0.54 0.79 -0.83 -0.69 0.00 0.00 174.62 174.34 3m4r s GLY 74 N -0.49 2.06 -0.10 4.40 0.00 -1.26 -1.41 107.32 110.51 3m4r s GLY 74 Ca 0.14 -0.05 0.03 0.00 0.00 0.00 0.00 44.72 44.84 3m4r s GLY 74 CO 0.03 1.60 -0.19 -0.42 0.00 0.00 0.00 173.10 174.12 3m4r s ILE 75 N 2.16 2.50 0.00 0.90 -1.09 0.43 -0.85 121.20 125.25 3m4r s ILE 75 Ca 0.36 -0.87 0.00 0.00 -2.23 0.00 0.00 60.65 57.91 3m4r s ILE 75 Cb -0.16 -1.99 0.00 0.00 -1.58 0.00 0.00 42.46 38.73 3m4r s ILE 75 CO 0.11 0.55 0.00 0.54 -1.23 0.00 0.00 174.94 174.91 3m4r n ARG 76 N 3.37 -0.98 0.00 2.79 1.74 -0.09 -0.31 116.66 123.18 3m4r n ARG 76 Ca -0.18 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.90 3m4r n ARG 76 Cb 0.53 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.97 3m4r n ARG 76 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 3m4r n ASP 78 N -2.56 0.00 0.02 0.55 8.00 -1.26 -1.58 116.55 119.73 3m4r n ASP 78 Ca 0.00 0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.37 3m4r n ASP 78 Cb 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 41.12 41.01 3m4r n ASP 78 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 3m4r h ASP 79 N 0.00 -0.02 -0.61 -2.24 5.19 -1.94 -2.49 116.42 114.30 3m4r h ASP 79 Ca 0.00 -0.27 -0.01 0.00 -0.62 0.00 0.00 57.03 56.14 3m4r h ASP 79 Cb 0.00 0.01 -0.03 0.00 0.18 0.00 0.00 39.33 39.49 3m4r h ASP 79 CO 0.00 0.25 0.36 0.00 -3.12 0.00 0.00 179.24 176.73 3m4r h ALA 80 N 0.67 0.78 0.00 3.45 0.00 -1.66 -2.58 119.26 119.92 3m4r h ALA 80 Ca -0.00 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 3m4r h ALA 80 Cb 0.29 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3m4r h ALA 80 CO 0.00 0.27 -0.23 -0.07 0.00 0.00 0.00 179.25 179.22 3m4r h LEU 81 N 0.83 0.00 -1.42 0.00 3.38 -1.82 -1.87 115.31 114.40 3m4r h LEU 81 Ca 0.22 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.17 3m4r h LEU 81 Cb -0.01 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 3m4r h LEU 81 CO -0.04 0.23 -0.07 0.00 0.09 0.00 0.00 178.44 178.65 3m4r h ALA 82 N 1.77 1.02 0.00 1.53 0.00 -1.03 -2.63 119.26 119.92 3m4r h ALA 82 Ca -0.00 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 3m4r h ALA 82 Cb 0.72 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.50 3m4r h ALA 82 CO 0.03 0.09 -0.04 0.00 0.00 0.00 0.00 179.25 179.33 3m4r h ALA 83 N 1.93 1.04 0.00 0.00 0.00 -1.25 -3.05 119.26 117.93 3m4r h ALA 83 Ca -0.00 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 3m4r h ALA 83 Cb 0.56 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 3m4r h ALA 83 CO 0.01 0.05 -0.00 0.00 0.00 0.00 0.00 179.25 179.30 3m4r h ALA 84 N 1.96 1.60 0.00 0.00 0.00 -1.60 0.12 119.26 121.35 3m4r h ALA 84 Ca -0.00 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 3m4r h ALA 84 Cb 0.39 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 3m4r h ALA 84 CO 0.00 0.00 -0.14 0.87 0.00 0.00 0.00 179.25 179.99 3m4r h LYS 85 N 0.00 0.00 -6.72 0.00 6.56 -1.75 -3.45 116.57 111.21 3m4r h LYS 85 Ca -0.00 0.00 -0.49 0.00 -1.06 0.00 0.00 60.65 59.10 3m4r h LYS 85 Cb 0.00 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 31.64 3m4r h LYS 85 CO 0.00 0.14 0.30 0.42 -2.06 0.00 0.00 179.45 178.25 3m4r s ILE 86 N -3.92 4.19 -0.06 1.86 1.01 0.42 -4.98 121.20 119.72 3m4r s ILE 86 Ca -0.01 1.91 -0.04 0.00 0.00 0.00 0.00 60.65 62.51 3m4r s ILE 86 Cb 0.11 -4.20 -0.02 0.00 0.01 0.00 0.00 42.46 38.37 3m4r s ILE 86 CO 0.59 0.41 0.18 0.44 0.00 0.00 0.00 174.94 176.56 3m4r h ASP 87 N 3.93 -0.12 -2.78 3.58 3.32 -1.87 -3.51 116.42 118.99 3m4r h ASP 87 Ca -0.46 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 56.57 3m4r h ASP 87 Cb 1.20 0.03 -0.01 0.00 0.22 0.00 0.00 39.33 40.77 3m4r h ASP 87 CO 0.67 0.27 -0.02 0.29 -1.72 0.00 0.00 179.24 178.73 3m4r n LYS 88 N -4.34 1.31 -4.03 3.56 4.76 -1.26 -4.88 118.16 113.29 3m4r n LYS 88 Ca -0.02 -0.16 -0.22 0.00 -2.87 0.00 0.00 58.31 55.04 3m4r n LYS 88 Cb 0.05 0.07 -0.04 0.00 -1.84 0.00 0.00 35.03 33.27 3m4r n LYS 88 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 3m4r s THR 90 N -1.41 4.19 0.17 -0.18 -4.23 -1.26 -5.11 115.64 107.80 3m4r s THR 90 Ca 0.01 -1.40 -0.16 0.00 -1.18 0.00 0.00 61.69 58.96 3m4r s THR 90 Cb 0.00 -3.34 0.08 0.00 1.34 0.00 0.00 72.50 70.58 3m4r s THR 90 CO 0.00 -0.30 1.69 0.44 -0.54 0.00 0.00 174.62 175.91 3m4r h ASP 91 N 1.42 -0.21 -0.32 3.99 3.32 -2.02 -2.51 116.42 120.10 3m4r h ASP 91 Ca -0.47 0.10 0.06 0.00 0.02 0.00 0.00 57.03 56.74 3m4r h ASP 91 Cb 1.24 0.18 -0.06 0.00 0.22 0.00 0.00 39.33 40.91 3m4r h ASP 91 CO 0.60 -0.07 -0.08 -0.08 -1.72 0.00 0.00 179.24 177.89 3m4r h GLU 92 N 0.08 -0.00 -1.78 3.56 4.81 -2.04 0.04 114.58 119.24 3m4r h GLU 92 Ca 0.19 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.42 3m4r h GLU 92 Cb 0.28 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.66 3m4r h GLU 92 CO -0.34 -0.00 0.00 0.00 -0.73 0.00 0.00 179.01 177.93 3m4r n ALA 93 N -2.59 1.63 0.00 2.92 0.00 -0.95 -1.52 120.51 120.01 3m4r n ALA 93 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3m4r n ALA 93 Cb 0.18 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.63 3m4r n ALA 93 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3m4r n VAL 95 N 0.90 0.00 -0.26 0.00 0.31 0.00 -0.41 118.33 118.87 3m4r n VAL 95 Ca 0.00 0.00 -0.06 0.00 -0.01 0.00 0.00 64.34 64.27 3m4r n VAL 95 Cb 0.07 0.00 0.05 0.00 -0.91 0.00 0.00 33.84 33.06 3m4r n VAL 95 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 3m4r h ASP 96 N 0.00 0.92 -0.27 4.52 3.32 -1.54 -1.71 116.42 121.67 3m4r h ASP 96 Ca 0.00 -0.12 0.02 0.00 0.02 0.00 0.00 57.03 56.95 3m4r h ASP 96 Cb 0.00 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.29 3m4r h ASP 96 CO 0.00 0.78 0.12 0.22 -1.72 0.00 0.00 179.24 178.64 3m4r h TYR 97 N 1.00 0.22 -0.86 4.55 5.03 -1.00 -1.82 116.97 124.08 3m4r h TYR 97 Ca 0.25 0.01 -0.03 0.00 2.58 0.00 0.00 58.73 61.54 3m4r h TYR 97 Cb 0.09 -0.06 -0.04 0.00 1.55 0.00 0.00 36.73 38.27 3m4r h TYR 97 CO 0.00 0.12 0.42 -0.07 -1.32 0.00 0.00 178.16 177.31 3m4r h LEU 98 N 0.26 1.12 -0.81 2.82 3.38 -1.77 -1.96 115.31 118.34 3m4r h LEU 98 Ca 0.11 -0.13 0.02 0.00 0.09 0.00 0.00 57.88 57.98 3m4r h LEU 98 Cb 0.05 -0.29 -0.05 0.00 0.09 0.00 0.00 40.66 40.47 3m4r h LEU 98 CO -0.09 0.94 0.53 0.50 0.09 0.00 0.00 178.44 180.40 3m4r h LYS 99 N 1.23 1.01 0.00 1.13 3.64 -1.00 -1.25 116.57 121.32 3m4r h LYS 99 Ca 0.30 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.62 3m4r h LYS 99 Cb 0.10 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 31.70 3m4r h LYS 99 CO -0.04 0.67 0.00 1.63 -2.27 0.00 0.00 179.45 179.44 3m4r n LYS 100 N -4.56 0.02 -3.46 1.90 5.02 -0.71 -4.91 118.16 111.46 3m4r n LYS 100 Ca 0.09 0.14 -0.42 0.00 -2.02 0.00 0.00 58.31 56.09 3m4r n LYS 100 Cb 0.06 -1.50 -0.04 0.00 -0.02 0.00 0.00 35.03 33.54 3m4r n LYS 100 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 3m4r s SER 101 N -2.97 6.50 0.00 4.39 0.01 -0.48 -5.06 113.70 116.10 3m4r s SER 101 Ca 0.11 -3.19 0.00 0.00 1.31 0.00 0.00 55.95 54.18 3m4r s SER 101 Cb 0.14 -2.09 0.00 0.00 0.21 0.00 0.00 66.02 64.28 3m4r s SER 101 CO 0.38 -0.38 0.00 0.52 0.41 0.00 0.00 173.24 174.17 3m4r n VAL 103 N 3.19 0.00 -3.60 3.43 0.31 -0.03 -0.91 118.33 120.72 3m4r n VAL 103 Ca 0.17 0.00 -0.29 0.00 -0.01 0.00 0.00 64.34 64.21 3m4r n VAL 103 Cb 0.41 -0.79 -0.15 0.00 -0.91 0.00 0.00 33.84 32.40 3m4r n VAL 103 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 3m4r s ASN 104 N -2.90 3.68 0.00 4.52 3.84 -1.26 -4.88 114.94 117.94 3m4r s ASN 104 Ca 0.00 -1.45 0.05 0.00 0.21 0.00 0.00 52.86 51.67 3m4r s ASN 104 Cb 0.00 -0.52 0.20 0.00 -0.55 0.00 0.00 41.25 40.38 3m4r s ASN 104 CO 0.00 -0.43 1.14 -2.65 -2.79 0.00 0.00 177.10 172.37 3m4r n PRO 105 N 5.06 0.00 0.01 0.43 -0.02 -1.26 -0.74 135.00 138.48 3m4r n PRO 105 Ca -0.04 0.41 0.13 0.00 -2.02 0.00 0.00 63.50 61.98 3m4r n PRO 105 Cb 0.42 -1.50 0.42 0.00 -0.02 0.00 0.00 33.50 32.82 3m4r n PRO 105 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 3m4r n SER 106 N -1.49 0.29 -4.72 2.55 7.64 -1.26 -4.88 113.62 111.75 3m4r n SER 106 Ca 0.01 0.13 -0.32 0.00 1.01 0.00 0.00 58.87 59.70 3m4r n SER 106 Cb 0.05 -0.12 0.12 0.00 -1.01 0.00 0.00 64.21 63.25 3m4r n SER 106 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 3m4r s GLU 107 N -3.01 1.79 0.61 1.43 2.02 0.08 -4.99 118.70 116.62 3m4r s GLU 107 Ca 0.12 1.42 -0.19 0.00 0.02 0.00 0.00 54.97 56.34 3m4r s GLU 107 Cb 0.18 -1.82 -0.03 0.00 0.10 0.00 0.00 34.13 32.56 3m4r s GLU 107 CO 0.62 -2.04 1.29 -2.14 0.02 0.00 0.00 175.26 173.01 3m4r s PRO 108 N -4.60 2.79 0.23 0.39 0.02 -1.26 -4.92 135.00 127.66 3m4r s PRO 108 Ca 0.66 2.05 -0.31 0.00 0.02 0.00 0.00 61.00 63.42 3m4r s PRO 108 Cb -0.21 -1.97 -0.14 0.00 0.02 0.00 0.00 34.50 32.20 3m4r s PRO 108 CO 0.54 -1.41 1.20 -1.13 -0.33 0.00 0.00 177.00 175.88 3m4r n SER 109 N -1.61 1.83 -4.80 2.53 3.41 -1.26 -4.72 113.62 109.00 3m4r n SER 109 Ca 0.14 1.16 -0.33 0.00 -0.26 0.00 0.00 58.87 59.58 3m4r n SER 109 Cb 0.48 -1.31 -0.00 0.00 -0.26 0.00 0.00 64.21 63.11 3m4r n SER 109 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 3m4r s PRO 110 N -0.80 3.49 0.06 4.33 0.04 -1.26 -1.80 135.00 139.06 3m4r s PRO 110 Ca 0.67 1.24 -0.36 0.00 0.04 0.00 0.00 61.00 62.58 3m4r s PRO 110 Cb -0.73 -2.05 -0.19 0.00 0.04 0.00 0.00 34.50 31.56 3m4r s PRO 110 CO 0.54 -0.68 0.92 0.45 0.04 0.00 0.00 177.00 178.27 3m4r n SER 111 N -1.70 -0.31 0.12 6.66 2.88 -0.44 -4.80 113.62 116.03 3m4r n SER 111 Ca 0.09 1.15 0.08 0.00 -1.33 0.00 0.00 58.87 58.86 3m4r n SER 111 Cb 0.53 -0.94 0.42 0.00 -0.75 0.00 0.00 64.21 63.47 3m4r n SER 111 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 3m4r n VAL 112 N 1.08 1.20 -0.86 2.46 0.24 -1.26 -1.98 118.33 119.21 3m4r n VAL 112 Ca 0.19 0.68 0.07 0.00 -2.04 0.00 0.00 64.34 63.24 3m4r n VAL 112 Cb 0.13 -1.68 0.40 0.00 -1.47 0.00 0.00 33.84 31.22 3m4r n VAL 112 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3m4r n GLU 113 N -2.04 4.86 -0.16 7.34 1.02 -1.26 -4.64 120.64 125.76 3m4r n GLU 113 Ca -0.01 -3.10 0.08 0.00 -0.02 0.00 0.00 57.16 54.11 3m4r n GLU 113 Cb 0.06 -2.26 0.39 0.00 -0.02 0.00 0.00 31.44 29.61 3m4r n GLU 113 CO 0.00 0.00 0.00 1.15 1.18 0.00 0.00 177.13 179.46 3m4r h THR 114 N 3.93 0.98 0.00 2.62 2.02 -1.76 -1.05 112.91 119.66 3m4r h THR 114 Ca 0.00 -0.23 -0.02 0.00 0.77 0.00 0.00 66.41 66.93 3m4r h THR 114 Cb 1.96 0.25 -0.00 0.00 -1.74 0.00 0.00 68.15 68.62 3m4r h THR 114 CO 0.49 0.12 -0.10 -0.26 0.37 0.00 0.00 175.52 176.14 3m4r h PHE 115 N 0.67 0.00 -0.68 3.16 0.04 -1.87 -1.41 116.94 116.85 3m4r h PHE 115 Ca 0.31 0.00 0.02 0.00 2.80 0.00 0.00 57.97 61.10 3m4r h PHE 115 Cb 0.35 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.46 3m4r h PHE 115 CO -0.00 0.10 0.45 -0.07 -0.60 0.00 0.00 178.31 178.19 3m4r h LEU 116 N 0.00 0.76 0.03 1.54 3.38 -1.52 -2.29 115.31 117.20 3m4r h LEU 116 Ca -0.00 -0.02 -0.08 0.00 0.09 0.00 0.00 57.88 57.87 3m4r h LEU 116 Cb 0.45 -0.19 0.01 0.00 0.09 0.00 0.00 40.66 41.02 3m4r h LEU 116 CO 0.01 0.54 -0.34 0.45 0.09 0.00 0.00 178.44 179.19 3m4r h HIS 117 N 0.89 0.29 -0.55 1.13 3.86 -1.40 -3.28 115.15 116.10 3m4r h HIS 117 Ca 0.26 -0.18 -0.04 0.00 -1.16 0.00 0.00 60.37 59.25 3m4r h HIS 117 Cb -0.05 -0.03 -0.03 0.00 1.06 0.00 0.00 27.41 28.37 3m4r h HIS 117 CO -0.00 1.04 0.16 0.00 0.86 0.00 0.00 177.93 179.99 3m4r h ALA 118 N 0.18 1.26 -0.05 2.45 0.00 -1.20 -2.98 119.26 118.92 3m4r h ALA 118 Ca -0.05 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.67 3m4r h ALA 118 Cb 1.16 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.72 3m4r h ALA 118 CO 0.07 0.53 0.00 1.19 0.00 0.00 0.00 179.25 181.03 3m4r n PHE 119 N -4.29 0.05 -4.00 0.00 3.72 -0.87 -4.73 117.46 107.33 3m4r n PHE 119 Ca 0.04 -0.03 -0.35 0.00 -0.05 0.00 0.00 57.45 57.06 3m4r n PHE 119 Cb 0.20 0.00 -0.12 0.00 -0.94 0.00 0.00 39.48 38.62 3m4r n PHE 119 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 3m4r s LEU 120 N -1.87 3.38 -1.09 4.37 1.43 -1.13 -4.94 118.68 118.83 3m4r s LEU 120 Ca 0.38 -0.16 -0.05 0.00 -1.03 0.00 0.00 54.13 53.27 3m4r s LEU 120 Cb 0.20 -1.87 0.11 0.00 0.03 0.00 0.00 46.19 44.66 3m4r s LEU 120 CO 0.31 0.06 2.47 -0.81 0.23 0.00 0.00 176.35 178.62 3m4r n PRO 121 N 4.28 4.07 -4.38 1.29 -0.04 -1.26 -4.80 135.00 134.16 3m4r n PRO 121 Ca -0.17 -3.21 -0.22 0.00 -0.04 0.00 0.00 63.50 59.86 3m4r n PRO 121 Cb 0.52 -2.50 -0.13 0.00 -0.04 0.00 0.00 33.50 31.35 3m4r n PRO 121 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 3m4r s TYR 122 N -1.39 1.54 0.14 0.54 2.02 -1.26 -5.07 117.35 113.88 3m4r s TYR 122 Ca 0.55 -0.40 -0.17 0.00 -0.37 0.00 0.00 57.07 56.68 3m4r s TYR 122 Cb 0.24 -0.89 0.02 0.00 -0.40 0.00 0.00 41.96 40.93 3m4r s TYR 122 CO -0.13 0.10 1.75 -0.22 -1.57 0.00 0.00 175.55 175.48 3m4r h LYS 123 N 4.55 0.21 -5.99 -0.62 3.64 -1.84 -3.42 116.57 113.11 3m4r h LYS 123 Ca -0.42 -0.01 -0.68 0.00 -1.27 0.00 0.00 60.65 58.27 3m4r h LYS 123 Cb 1.18 -0.05 -0.19 0.00 -0.41 0.00 0.00 32.23 32.75 3m4r h LYS 123 CO 0.42 0.14 -0.69 -0.06 -2.27 0.00 0.00 179.45 176.99 3m4r s PHE 124 N -6.17 2.96 0.31 1.91 0.40 -0.58 -0.48 117.98 116.33 3m4r s PHE 124 Ca -0.13 -0.03 0.05 0.00 -0.60 0.00 0.00 56.93 56.22 3m4r s PHE 124 Cb 0.11 -1.75 -0.02 0.00 0.51 0.00 0.00 43.02 41.87 3m4r s PHE 124 CO 0.70 0.27 0.19 0.28 0.70 0.00 0.00 175.22 177.36 3m4r n VAL 125 N 2.44 0.00 0.00 -0.44 0.31 -1.06 -1.77 118.33 117.81 3m4r n VAL 125 Ca -0.18 -2.03 0.00 0.00 -0.01 0.00 0.00 64.34 62.13 3m4r n VAL 125 Cb 0.53 0.89 0.00 0.00 -0.91 0.00 0.00 33.84 34.35 3m4r n VAL 125 CO 0.00 0.00 0.00 1.57 -1.32 0.00 0.00 176.83 177.08 3m4r n HIS 127 N -0.64 0.00 -4.39 3.52 -0.00 0.40 -1.65 115.22 112.46 3m4r n HIS 127 Ca 0.02 0.00 -0.20 0.00 0.46 0.00 0.00 57.72 58.00 3m4r n HIS 127 Cb 0.51 0.00 -0.10 0.00 -0.12 0.00 0.00 29.99 30.28 3m4r n HIS 127 CO 0.00 0.00 0.00 -1.54 0.46 0.00 0.00 176.34 175.26 3m4r s SER 128 N 0.00 2.31 -0.65 0.26 1.04 -0.87 -0.71 113.70 115.08 3m4r s SER 128 Ca 0.00 -1.23 0.01 0.00 0.48 0.00 0.00 55.95 55.21 3m4r s SER 128 Cb 0.00 -0.08 0.39 0.00 0.10 0.00 0.00 66.02 66.43 3m4r s SER 128 CO 0.00 -0.46 1.59 1.41 0.98 0.00 0.00 173.24 176.76 3m4r n HIS 129 N -0.53 3.18 -1.66 5.02 8.25 -1.24 -1.61 115.22 126.63 3m4r n HIS 129 Ca -0.05 -2.70 -0.50 0.00 -0.26 0.00 0.00 57.72 54.21 3m4r n HIS 129 Cb 0.64 -0.67 -0.05 0.00 1.12 0.00 0.00 29.99 31.03 3m4r n HIS 129 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3m4r n ALA 130 N -0.52 0.46 -0.18 -1.41 0.00 -1.21 -4.82 120.51 112.83 3m4r n ALA 130 Ca 0.47 0.41 -0.02 0.00 0.00 0.00 0.00 53.44 54.30 3m4r n ALA 130 Cb 0.45 -2.31 0.06 0.00 0.00 0.00 0.00 19.45 17.65 3m4r n ALA 130 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 3m4r h ASP 131 N 6.70 -0.44 0.18 0.00 3.58 -1.76 -1.24 116.42 123.44 3m4r h ASP 131 Ca -0.47 0.16 -0.02 0.00 0.42 0.00 0.00 57.03 57.12 3m4r h ASP 131 Cb 1.29 0.32 -0.00 0.00 1.72 0.00 0.00 39.33 42.65 3m4r h ASP 131 CO 0.89 -0.16 -0.10 0.00 -2.88 0.00 0.00 179.24 176.99 3m4r h ALA 132 N 1.54 1.56 -0.11 -0.78 0.00 -1.90 -0.82 119.26 118.75 3m4r h ALA 132 Ca 0.27 -0.09 -0.22 0.00 0.00 0.00 0.00 54.91 54.87 3m4r h ALA 132 Cb 0.42 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.20 3m4r h ALA 132 CO -0.54 0.13 -0.81 0.82 0.00 0.00 0.00 179.25 178.84 3m4r h ILE 133 N 0.00 1.30 -0.57 0.00 1.08 -1.59 -2.23 117.51 115.50 3m4r h ILE 133 Ca -0.00 -2.07 -0.04 0.00 -0.39 0.00 0.00 64.86 62.37 3m4r h ILE 133 Cb 0.22 2.08 -0.02 0.00 -3.07 0.00 0.00 36.82 36.02 3m4r h ILE 133 CO 0.01 0.64 0.21 -0.07 -0.69 0.00 0.00 178.15 178.25 3m4r h LEU 134 N 0.46 0.80 0.09 1.44 3.38 -0.68 -1.75 115.31 119.06 3m4r h LEU 134 Ca -0.06 -0.19 -0.00 0.00 0.09 0.00 0.00 57.88 57.72 3m4r h LEU 134 Cb 1.43 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.98 3m4r h LEU 134 CO 0.16 0.77 -0.05 0.28 0.09 0.00 0.00 178.44 179.70 3m4r h SER 135 N 0.79 -0.11 -0.26 -0.43 0.02 -1.17 -0.99 113.55 111.40 3m4r h SER 135 Ca 0.19 -0.08 -0.08 0.00 -0.84 0.00 0.00 61.79 60.98 3m4r h SER 135 Cb 0.24 0.03 -0.02 0.00 0.14 0.00 0.00 62.40 62.79 3m4r h SER 135 CO -0.01 0.01 -0.09 -0.29 -1.14 0.00 0.00 176.83 175.30 3m4r h ILE 136 N -0.22 1.24 0.00 3.27 2.10 -1.37 -2.45 117.51 120.08 3m4r h ILE 136 Ca -0.01 -1.08 0.00 0.00 1.08 0.00 0.00 64.86 64.85 3m4r h ILE 136 Cb 0.18 1.06 0.00 0.00 -1.09 0.00 0.00 36.82 36.96 3m4r h ILE 136 CO 0.02 0.36 -0.05 0.35 -1.08 0.00 0.00 178.15 177.75 3m4r n THR 137 N -4.19 0.56 1.48 2.19 -2.24 -0.66 -2.99 114.28 108.43 3m4r n THR 137 Ca 0.01 -0.28 0.14 0.00 -2.27 0.00 0.00 64.05 61.65 3m4r n THR 137 Cb 0.33 -0.54 0.51 0.00 -2.10 0.00 0.00 70.33 68.53 3m4r n THR 137 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3m4r n ASN 138 N -2.23 1.53 -4.65 3.42 3.02 -0.38 -4.50 115.26 111.47 3m4r n ASN 138 Ca 0.05 -1.50 -0.28 0.00 -0.03 0.00 0.00 54.58 52.83 3m4r n ASN 138 Cb 0.43 0.00 0.11 0.00 -0.61 0.00 0.00 39.78 39.72 3m4r n ASN 138 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 3m4r s THR 139 N -2.01 2.10 -1.25 3.41 -4.23 -1.14 -4.98 115.64 107.54 3m4r s THR 139 Ca 0.37 -0.15 0.07 0.00 -1.18 0.00 0.00 61.69 60.81 3m4r s THR 139 Cb 0.21 -2.95 0.31 0.00 1.34 0.00 0.00 72.50 71.41 3m4r s THR 139 CO 0.34 0.00 1.10 0.47 -0.54 0.00 0.00 174.62 175.99 3m4r n ASP 140 N -3.28 2.39 -4.74 3.99 8.00 -1.26 -4.91 116.55 116.74 3m4r n ASP 140 Ca 0.11 -2.22 -0.42 0.00 0.71 0.00 0.00 54.79 52.97 3m4r n ASP 140 Cb 0.60 -0.42 -0.02 0.00 -0.02 0.00 0.00 41.12 41.26 3m4r n ASP 140 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3m4r s LEU 141 N -1.08 4.37 0.69 0.64 1.43 -1.26 -4.96 118.68 118.52 3m4r s LEU 141 Ca 0.22 2.70 -0.17 0.00 -1.03 0.00 0.00 54.13 55.85 3m4r s LEU 141 Cb 0.14 -3.61 0.01 0.00 0.03 0.00 0.00 46.19 42.76 3m4r s LEU 141 CO 0.10 -0.79 1.27 -2.16 0.23 0.00 0.00 176.35 175.00 3m4r s PRO 142 N 0.20 2.30 0.32 1.29 0.04 -1.26 -4.81 135.00 133.09 3m4r s PRO 142 Ca 0.64 1.99 0.00 0.00 0.04 0.00 0.00 61.00 63.68 3m4r s PRO 142 Cb -0.44 -1.82 0.53 0.00 0.04 0.00 0.00 34.50 32.81 3m4r s PRO 142 CO 0.39 -1.77 1.95 0.77 0.04 0.00 0.00 177.00 178.38 3m4r h SER 143 N 0.16 0.79 -0.12 6.66 0.02 -1.99 -1.25 113.55 117.83 3m4r h SER 143 Ca -0.50 -0.05 -0.08 0.00 -0.84 0.00 0.00 61.79 60.32 3m4r h SER 143 Cb 1.33 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 63.65 3m4r h SER 143 CO 0.51 0.63 -0.17 0.44 -1.14 0.00 0.00 176.83 177.09 3m4r h ASP 144 N 0.91 0.51 0.38 3.07 5.19 -1.97 0.19 116.42 124.69 3m4r h ASP 144 Ca 0.23 -0.15 -0.20 0.00 -0.62 0.00 0.00 57.03 56.29 3m4r h ASP 144 Cb -0.00 -0.14 -0.00 0.00 0.18 0.00 0.00 39.33 39.37 3m4r h ASP 144 CO -0.04 0.70 -0.85 1.56 -3.12 0.00 0.00 179.24 177.49 3m4r h GLN 145 N 0.47 0.35 -0.62 3.56 4.20 -1.72 -2.24 115.11 119.11 3m4r h GLN 145 Ca 0.08 -0.34 0.08 0.00 0.06 0.00 0.00 58.65 58.53 3m4r h GLN 145 Cb 0.57 0.09 -0.06 0.00 0.30 0.00 0.00 27.48 28.38 3m4r h GLN 145 CO 0.04 1.01 0.28 0.82 -0.67 0.00 0.00 178.83 180.31 3m4r h ILE 146 N 0.21 0.85 -0.91 2.54 2.04 -0.64 -1.77 117.51 119.84 3m4r h ILE 146 Ca -0.05 -0.17 -0.01 0.00 1.00 0.00 0.00 64.86 65.62 3m4r h ILE 146 Cb 1.46 0.30 -0.04 0.00 -0.74 0.00 0.00 36.82 37.79 3m4r h ILE 146 CO 0.14 0.09 0.52 0.00 0.00 0.00 0.00 178.15 178.91 3m4r h ALA 147 N 1.38 1.16 0.00 1.87 0.00 -0.88 -1.20 119.26 121.59 3m4r h ALA 147 Ca 0.30 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 55.02 3m4r h ALA 147 Cb 0.30 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3m4r h ALA 147 CO -0.25 0.64 -0.33 0.87 0.00 0.00 0.00 179.25 180.18 3m4r h LYS 148 N 1.26 0.00 -0.10 0.00 1.57 -0.95 0.14 116.57 118.48 3m4r h LYS 148 Ca 0.32 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.94 3m4r h LYS 148 Cb -0.01 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.31 3m4r h LYS 148 CO -0.06 0.33 -0.55 0.82 -0.57 0.00 0.00 179.45 179.42 3m4r h ILE 149 N 0.00 1.36 0.00 1.86 2.04 -0.65 -3.36 117.51 118.76 3m4r h ILE 149 Ca -0.00 -1.87 -0.07 0.00 1.00 0.00 0.00 64.86 63.92 3m4r h ILE 149 Cb 0.59 2.19 -0.01 0.00 -0.74 0.00 0.00 36.82 38.85 3m4r h ILE 149 CO 0.04 0.56 -1.22 0.18 0.00 0.00 0.00 178.15 177.72 3m4r n LEU 150 N -4.18 0.81 0.00 1.44 4.77 -0.52 -4.85 117.00 114.46 3m4r n LEU 150 Ca -0.08 0.33 0.00 0.00 -0.03 0.00 0.00 56.01 56.23 3m4r n LEU 150 Cb 0.63 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.72 3m4r n LEU 150 CO 0.47 -0.04 0.00 0.61 -1.33 0.00 0.00 177.39 177.10 3m4r n GLY 151 N 1.27 0.20 3.43 -0.72 0.00 0.01 -4.66 105.19 104.72 3m4r n GLY 151 Ca -0.04 -1.91 -0.43 0.00 0.00 0.00 0.00 46.02 43.64 3m4r n GLY 151 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3m4r n ASN 152 N 0.00 4.97 -4.29 1.61 5.15 -1.26 -4.61 115.26 116.83 3m4r n ASN 152 Ca 0.00 -2.95 -0.16 0.00 -0.60 0.00 0.00 54.58 50.88 3m4r n ASN 152 Cb 0.00 -1.66 -0.10 0.00 -0.53 0.00 0.00 39.78 37.49 3m4r n ASN 152 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 3m4r s VAL 153 N 2.94 1.20 -0.06 3.44 -7.23 -1.26 -0.31 120.40 119.12 3m4r s VAL 153 Ca 0.48 -2.07 0.02 0.00 -1.81 0.00 0.00 61.98 58.60 3m4r s VAL 153 Cb 0.03 -2.04 -0.03 0.00 0.56 0.00 0.00 36.38 34.90 3m4r s VAL 153 CO 0.03 -0.59 -0.10 -0.69 -0.31 0.00 0.00 175.10 173.45 3m4r s VAL 154 N -3.31 3.42 -0.11 1.32 1.01 -0.89 -4.94 120.40 116.90 3m4r s VAL 154 Ca 0.21 -0.59 0.00 0.00 0.00 0.00 0.00 61.98 61.61 3m4r s VAL 154 Cb 0.03 -2.37 -0.02 0.00 0.00 0.00 0.00 36.38 34.02 3m4r s VAL 154 CO 0.04 0.59 -0.11 -0.69 0.00 0.00 0.00 175.10 174.93 3m4r s VAL 155 N -0.75 3.27 0.04 2.92 1.01 -1.26 -0.44 120.40 125.18 3m4r s VAL 155 Ca 0.11 -0.60 0.05 0.00 0.00 0.00 0.00 61.98 61.54 3m4r s VAL 155 Cb -0.11 -2.36 -0.03 0.00 0.00 0.00 0.00 36.38 33.88 3m4r s VAL 155 CO 0.01 0.54 -0.11 -0.76 0.00 0.00 0.00 175.10 174.78 3m4r s LEU 156 N -0.01 2.95 1.10 3.92 1.02 0.52 -4.93 118.68 123.25 3m4r s LEU 156 Ca -0.03 -0.29 -0.16 0.00 0.02 0.00 0.00 54.13 53.68 3m4r s LEU 156 Cb -0.14 -1.72 0.24 0.00 0.02 0.00 0.00 46.19 44.59 3m4r s LEU 156 CO 0.04 0.25 1.10 -2.16 0.02 0.00 0.00 176.35 175.60 3m4r s PRO 157 N -1.58 -0.42 0.21 1.29 0.04 -1.26 -1.59 135.00 131.69 3m4r s PRO 157 Ca 0.17 0.24 -0.32 0.00 0.04 0.00 0.00 61.00 61.13 3m4r s PRO 157 Cb -0.11 -1.66 -0.12 0.00 0.04 0.00 0.00 34.50 32.65 3m4r s PRO 157 CO 0.08 -3.24 1.69 0.98 0.04 0.00 0.00 177.00 176.55 3m4r n TYR 158 N -4.49 2.71 -3.87 0.56 9.36 -1.25 -4.29 117.16 115.89 3m4r n TYR 158 Ca 0.09 0.09 -0.14 0.00 3.32 0.00 0.00 57.90 61.25 3m4r n TYR 158 Cb 0.58 -2.65 -0.15 0.00 -0.63 0.00 0.00 39.34 36.49 3m4r n TYR 158 CO 0.00 0.00 0.00 0.42 0.22 0.00 0.00 176.86 177.50 3m4r s ILE 159 N 1.00 0.05 0.39 2.97 1.01 -1.26 -5.05 121.20 120.32 3m4r s ILE 159 Ca 0.74 0.08 -0.26 0.00 0.00 0.00 0.00 60.65 61.21 3m4r s ILE 159 Cb -0.53 -0.12 -0.11 0.00 0.01 0.00 0.00 42.46 41.72 3m4r s ILE 159 CO 0.35 0.07 1.23 -2.65 0.00 0.00 0.00 174.94 173.94 3m4r n PRO 160 N 3.69 1.88 -1.71 2.79 -0.02 -1.26 -4.88 135.00 135.49 3m4r n PRO 160 Ca -0.21 0.67 -0.43 0.00 -2.02 0.00 0.00 63.50 61.51 3m4r n PRO 160 Cb 0.54 -2.30 -0.03 0.00 -0.02 0.00 0.00 33.50 31.69 3m4r n PRO 160 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 3m4r n PRO 161 N 0.22 2.53 -2.73 0.52 -0.02 -1.26 -4.40 135.00 129.85 3m4r n PRO 161 Ca 0.07 0.90 0.00 0.00 -2.02 0.00 0.00 63.50 62.45 3m4r n PRO 161 Cb 0.38 -2.68 0.00 0.00 -0.02 0.00 0.00 33.50 31.18 3m4r n PRO 161 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3m4r n GLY 162 N 2.83 -0.07 0.20 -1.23 0.00 -1.26 -4.97 105.19 100.69 3m4r n GLY 162 Ca 0.12 -1.33 -0.14 0.00 0.00 0.00 0.00 46.02 44.68 3m4r n GLY 162 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3m4r h PHE 163 N 0.00 0.81 -0.93 1.61 3.57 -1.92 -2.58 116.94 117.50 3m4r h PHE 163 Ca 0.00 -0.27 0.07 0.00 3.53 0.00 0.00 57.97 61.29 3m4r h PHE 163 Cb 0.00 -0.16 -0.06 0.00 2.79 0.00 0.00 35.95 38.52 3m4r h PHE 163 CO 0.00 1.03 0.60 1.15 -2.23 0.00 0.00 178.31 178.86 3m4r h THR 164 N 0.37 1.07 -0.30 4.41 2.02 -1.89 -1.06 112.91 117.53 3m4r h THR 164 Ca 0.02 -0.36 0.00 0.00 0.77 0.00 0.00 66.41 66.84 3m4r h THR 164 Cb 0.94 -0.08 -0.01 0.00 -1.74 0.00 0.00 68.15 67.25 3m4r h THR 164 CO 0.08 0.19 0.19 0.25 0.37 0.00 0.00 175.52 176.61 3m4r h LEU 165 N 1.06 0.35 -0.88 2.58 5.85 -1.72 -1.37 115.31 121.19 3m4r h LEU 165 Ca 0.40 -0.03 -0.02 0.00 0.84 0.00 0.00 57.88 59.07 3m4r h LEU 165 Cb 0.20 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.10 3m4r h LEU 165 CO -0.15 0.27 0.46 0.00 -0.34 0.00 0.00 178.44 178.68 3m4r h ALA 166 N 1.09 1.12 -0.86 1.25 0.00 -0.94 0.16 119.26 121.09 3m4r h ALA 166 Ca 0.11 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 3m4r h ALA 166 Cb -0.02 -0.35 -0.04 0.00 0.00 0.00 0.00 17.79 17.38 3m4r h ALA 166 CO -0.02 0.65 0.50 0.87 0.00 0.00 0.00 179.25 181.25 3m4r h LYS 167 N 1.23 1.19 -0.51 0.00 1.79 -0.87 -2.92 116.57 116.48 3m4r h LYS 167 Ca 0.31 -0.12 -0.12 0.00 -2.18 0.00 0.00 60.65 58.54 3m4r h LYS 167 Cb 0.06 -0.24 -0.02 0.00 -1.58 0.00 0.00 32.23 30.45 3m4r h LYS 167 CO -0.05 0.85 -0.15 0.93 -1.08 0.00 0.00 179.45 179.96 3m4r h GLU 168 N 1.19 1.00 -0.84 3.15 4.39 -0.56 -1.15 114.58 121.76 3m4r h GLU 168 Ca 0.31 -0.39 0.00 0.00 0.34 0.00 0.00 59.36 59.61 3m4r h GLU 168 Cb -0.02 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 28.58 3m4r h GLU 168 CO -0.05 1.07 0.00 0.28 -1.16 0.00 0.00 179.01 179.15 3m4r n VAL 169 N -4.15 0.00 0.00 3.13 0.31 -0.02 -0.95 118.33 116.65 3m4r n VAL 169 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.34 3m4r n VAL 169 Cb 0.42 -0.21 0.00 0.00 -0.91 0.00 0.00 33.84 33.14 3m4r n VAL 169 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 3m4r n ASN 171 N 0.71 0.00 0.11 4.52 3.02 -0.44 -1.93 115.26 121.25 3m4r n ASN 171 Ca 0.00 0.00 0.12 0.00 -0.03 0.00 0.00 54.58 54.67 3m4r n ASN 171 Cb 0.00 0.00 0.05 0.00 -0.61 0.00 0.00 39.78 39.23 3m4r n ASN 171 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3m4r n PHE 173 N -2.61 2.27 -4.54 0.00 7.35 -0.81 -5.00 117.46 114.12 3m4r n PHE 173 Ca 0.01 0.32 -0.22 0.00 -0.76 0.00 0.00 57.45 56.80 3m4r n PHE 173 Cb 0.53 -2.52 -0.14 0.00 0.35 0.00 0.00 39.48 37.69 3m4r n PHE 173 CO 0.00 0.00 0.00 0.15 -0.76 0.00 0.00 176.76 176.15 3m4r s LYS 174 N 0.45 1.08 0.23 -4.13 3.01 -1.26 -5.13 119.74 113.99 3m4r s LYS 174 Ca 0.75 -0.62 -0.28 0.00 -1.01 0.00 0.00 55.97 54.81 3m4r s LYS 174 Cb -0.66 -1.07 -0.16 0.00 -1.01 0.00 0.00 37.83 34.93 3m4r s LYS 174 CO 0.42 0.28 0.72 0.36 0.51 0.00 0.00 175.35 177.64 3m4r n LYS 175 N 2.39 0.53 -0.15 1.68 0.00 -1.26 -2.99 118.16 118.35 3m4r n LYS 175 Ca -0.16 0.19 0.00 0.00 -0.00 0.00 0.00 58.31 58.34 3m4r n LYS 175 Cb 0.55 -1.34 0.00 0.00 -0.00 0.00 0.00 35.03 34.24 3m4r n LYS 175 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3m4r n GLY 176 N 1.70 2.04 3.86 2.58 0.00 -1.26 -5.04 105.19 109.07 3m4r n GLY 176 Ca 0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.86 3m4r n GLY 176 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3m4r s ILE 177 N -2.92 4.55 -0.59 -0.61 -4.36 -1.16 -5.00 121.20 111.10 3m4r s ILE 177 Ca 0.00 0.91 0.21 0.00 -0.26 0.00 0.00 60.65 61.52 3m4r s ILE 177 Cb 0.00 -3.76 -0.27 0.00 1.25 0.00 0.00 42.46 39.68 3m4r s ILE 177 CO 0.00 -1.00 0.74 0.47 0.24 0.00 0.00 174.94 175.39 3m4r n ASP 178 N -2.56 0.58 -3.58 4.36 8.00 0.58 -5.00 116.55 118.94 3m4r n ASP 178 Ca 0.06 -0.56 -0.06 0.00 0.71 0.00 0.00 54.79 54.95 3m4r n ASP 178 Cb 0.54 1.39 -0.02 0.00 -0.02 0.00 0.00 41.12 43.00 3m4r n ASP 178 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3m4r s GLY 179 N -3.64 -0.30 -0.14 0.44 0.00 -1.22 -4.32 107.32 98.14 3m4r s GLY 179 Ca 0.01 1.60 0.01 0.00 0.00 0.00 0.00 44.72 46.34 3m4r s GLY 179 CO 0.88 0.58 -0.16 -0.42 0.00 0.00 0.00 173.10 173.98 3m4r s ILE 180 N -2.35 1.68 -0.21 0.90 1.01 0.63 -2.10 121.20 120.76 3m4r s ILE 180 Ca 0.07 -0.72 -0.12 0.00 0.00 0.00 0.00 60.65 59.88 3m4r s ILE 180 Cb -0.01 -1.53 -0.05 0.00 0.01 0.00 0.00 42.46 40.88 3m4r s ILE 180 CO -0.05 0.48 0.20 -0.69 0.00 0.00 0.00 174.94 174.87 3m4r s VAL 181 N 1.20 5.35 -0.39 2.92 1.01 0.41 -0.40 120.40 130.49 3m4r s VAL 181 Ca -0.01 0.31 -0.04 0.00 0.00 0.00 0.00 61.98 62.24 3m4r s VAL 181 Cb -0.14 -3.54 0.09 0.00 0.00 0.00 0.00 36.38 32.79 3m4r s VAL 181 CO -0.07 0.38 0.17 -0.76 0.00 0.00 0.00 175.10 174.82 3m4r s LEU 182 N 0.74 4.95 0.30 3.92 1.43 0.72 -0.36 118.68 130.37 3m4r s LEU 182 Ca 0.11 -1.75 -0.30 0.00 -1.03 0.00 0.00 54.13 51.16 3m4r s LEU 182 Cb -0.13 -1.84 -0.12 0.00 0.03 0.00 0.00 46.19 44.13 3m4r s LEU 182 CO 0.02 -0.48 1.52 0.54 0.23 0.00 0.00 176.35 178.18 3m4r n ARG 183 N 4.67 2.51 -1.75 1.70 1.74 -0.62 -1.14 116.66 123.78 3m4r n ARG 183 Ca -0.06 0.89 -0.19 0.00 -0.77 0.00 0.00 57.85 57.72 3m4r n ARG 183 Cb 0.42 -2.62 -0.06 0.00 -1.02 0.00 0.00 32.46 29.18 3m4r n ARG 183 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3m4r n LYS 184 N 1.77 -1.35 0.05 5.56 5.02 -1.26 -3.86 118.16 124.08 3m4r n LYS 184 Ca 0.08 1.10 0.00 0.00 -2.02 0.00 0.00 58.31 57.47 3m4r n LYS 184 Cb 0.36 -5.46 0.00 0.00 -0.02 0.00 0.00 35.03 29.91 3m4r n LYS 184 CO 0.00 0.00 0.00 1.58 -0.52 0.00 0.00 177.40 178.46 3m4r n HIS 185 N -2.86 -0.82 0.00 2.13 -0.00 -0.65 -5.04 115.22 107.99 3m4r n HIS 185 Ca -0.20 0.14 0.00 0.00 0.46 0.00 0.00 57.72 58.13 3m4r n HIS 185 Cb 0.63 0.51 0.00 0.00 -0.12 0.00 0.00 29.99 31.01 3m4r n HIS 185 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 3m4r n GLY 186 N 1.58 -0.67 2.96 1.57 0.00 -0.29 -4.42 105.19 105.92 3m4r n GLY 186 Ca 0.00 -0.35 -0.13 0.00 0.00 0.00 0.00 46.02 45.55 3m4r n GLY 186 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3m4r s LEU 187 N 0.00 2.10 -0.12 0.99 2.96 -0.63 -0.20 118.68 123.78 3m4r s LEU 187 Ca 0.00 -0.24 0.02 0.00 -0.22 0.00 0.00 54.13 53.69 3m4r s LEU 187 Cb 0.00 -0.09 -0.01 0.00 0.50 0.00 0.00 46.19 46.59 3m4r s LEU 187 CO 0.00 -0.08 -0.18 -0.76 -1.32 0.00 0.00 176.35 174.00 3m4r s LEU 188 N -0.65 2.41 0.31 -0.68 1.43 0.46 -2.06 118.68 119.90 3m4r s LEU 188 Ca -0.05 -0.44 0.05 0.00 -1.03 0.00 0.00 54.13 52.66 3m4r s LEU 188 Cb -0.05 -1.51 -0.06 0.00 0.03 0.00 0.00 46.19 44.60 3m4r s LEU 188 CO -0.00 0.16 0.00 0.42 0.23 0.00 0.00 176.35 177.16 3m4r s THR 189 N 0.36 1.44 0.14 5.49 -4.23 -1.26 -0.27 115.64 117.31 3m4r s THR 189 Ca -0.15 -2.05 -0.25 0.00 -1.18 0.00 0.00 61.69 58.06 3m4r s THR 189 Cb -0.17 -2.63 0.07 0.00 1.34 0.00 0.00 72.50 71.10 3m4r s THR 189 CO 0.07 -0.15 0.85 0.72 -0.54 0.00 0.00 174.62 175.56 3m4r s PHE 190 N -3.14 -0.25 -1.18 3.99 -0.12 -1.26 -4.39 117.98 111.63 3m4r s PHE 190 Ca 0.33 -0.03 0.00 0.00 -0.05 0.00 0.00 56.93 57.18 3m4r s PHE 190 Cb 0.07 0.62 0.00 0.00 -0.63 0.00 0.00 43.02 43.07 3m4r s PHE 190 CO 0.14 -0.84 0.00 0.41 -0.05 0.00 0.00 175.22 174.88 3m4r n GLY 191 N -0.40 -1.49 0.19 1.99 0.00 -0.73 -4.02 105.19 100.73 3m4r n GLY 191 Ca -0.08 -1.06 0.08 0.00 0.00 0.00 0.00 46.02 44.96 3m4r n GLY 191 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3m4r h ASP 192 N 0.00 0.00 -4.37 1.61 3.32 -1.95 -1.53 116.42 113.50 3m4r h ASP 192 Ca 0.00 0.00 -0.31 0.00 0.02 0.00 0.00 57.03 56.74 3m4r h ASP 192 Cb 0.00 0.00 -0.15 0.00 0.22 0.00 0.00 39.33 39.40 3m4r h ASP 192 CO 0.00 0.28 -0.66 0.42 -1.72 0.00 0.00 179.24 177.56 3m4r s THR 193 N -3.30 0.76 0.13 0.35 -4.23 -1.26 -4.67 115.64 103.42 3m4r s THR 193 Ca 0.03 -1.99 -0.16 0.00 -1.18 0.00 0.00 61.69 58.38 3m4r s THR 193 Cb 0.08 -2.17 -0.01 0.00 1.34 0.00 0.00 72.50 71.74 3m4r s THR 193 CO 0.68 -0.44 1.70 1.23 -0.54 0.00 0.00 174.62 177.25 3m4r h GLY 194 N 2.64 0.60 0.75 3.99 0.00 -1.91 -2.77 103.07 106.37 3m4r h GLY 194 Ca -0.37 -0.31 0.04 0.00 0.00 0.00 0.00 47.33 46.69 3m4r h GLY 194 CO 0.63 0.29 0.33 1.70 0.00 0.00 0.00 176.54 179.49 3m4r h LYS 195 N 0.48 0.60 -0.19 4.80 3.64 -1.97 -0.19 116.57 123.75 3m4r h LYS 195 Ca 0.13 -0.04 0.04 0.00 -1.27 0.00 0.00 60.65 59.51 3m4r h LYS 195 Cb 0.15 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 31.80 3m4r h LYS 195 CO -0.01 0.40 -0.03 0.93 -2.27 0.00 0.00 179.45 178.47 3m4r h GLU 196 N 0.62 0.03 -0.62 1.90 5.08 -1.90 0.54 114.58 120.23 3m4r h GLU 196 Ca 0.25 -0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.59 3m4r h GLU 196 Cb 0.12 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.33 3m4r h GLU 196 CO -0.15 0.02 0.30 0.00 -1.00 0.00 0.00 179.01 178.18 3m4r h ALA 197 N 1.18 0.80 0.32 3.43 0.00 -1.16 -2.39 119.26 121.43 3m4r h ALA 197 Ca 0.09 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 3m4r h ALA 197 Cb 0.13 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.68 3m4r h ALA 197 CO -0.18 0.35 -0.15 -0.92 0.00 0.00 0.00 179.25 178.35 3m4r h TYR 198 N 0.85 -0.40 -1.00 0.00 3.20 -0.63 -1.71 116.97 117.28 3m4r h TYR 198 Ca 0.21 -0.01 0.08 0.00 3.14 0.00 0.00 58.73 62.15 3m4r h TYR 198 Cb 0.11 0.13 -0.07 0.00 1.54 0.00 0.00 36.73 38.44 3m4r h TYR 198 CO -0.00 -0.13 0.64 -0.44 -1.64 0.00 0.00 178.16 176.59 3m4r h ASP 199 N -0.63 1.00 -0.49 -2.11 3.32 0.09 -0.28 116.42 117.32 3m4r h ASP 199 Ca -0.04 0.02 -0.06 0.00 0.02 0.00 0.00 57.03 56.97 3m4r h ASP 199 Cb 0.45 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.78 3m4r h ASP 199 CO 0.07 0.61 0.11 0.03 -1.72 0.00 0.00 179.24 178.35 3m4r h ARG 200 N 1.12 0.86 -0.15 3.56 3.08 -1.36 -1.34 114.38 120.15 3m4r h ARG 200 Ca 0.45 -0.19 -0.01 0.00 0.07 0.00 0.00 59.98 60.30 3m4r h ARG 200 Cb 0.26 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.18 3m4r h ARG 200 CO -0.20 0.79 0.05 1.25 -1.07 0.00 0.00 179.97 180.80 3m4r h HIS 201 N 0.82 0.23 -0.09 3.04 2.76 -0.13 -2.49 115.15 119.29 3m4r h HIS 201 Ca 0.18 -0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.32 3m4r h HIS 201 Cb 0.33 -0.07 -0.00 0.00 1.55 0.00 0.00 27.41 29.22 3m4r h HIS 201 CO 0.02 0.31 0.03 0.82 -1.30 0.00 0.00 177.93 177.82 3m4r h ILE 202 N 0.07 1.15 -0.62 6.26 1.08 -1.12 -1.65 117.51 122.68 3m4r h ILE 202 Ca 0.05 -0.45 0.10 0.00 -0.39 0.00 0.00 64.86 64.16 3m4r h ILE 202 Cb 0.19 1.29 -0.07 0.00 -3.07 0.00 0.00 36.82 35.15 3m4r h ILE 202 CO -0.00 0.13 0.23 0.78 -0.69 0.00 0.00 178.15 178.60 3m4r h ASN 203 N -0.02 0.23 -0.18 1.72 2.35 -1.26 0.97 115.58 119.39 3m4r h ASN 203 Ca 0.03 0.08 -0.09 0.00 -0.55 0.00 0.00 56.30 55.77 3m4r h ASN 203 Cb 0.18 0.06 -0.00 0.00 0.05 0.00 0.00 38.32 38.61 3m4r h ASN 203 CO -0.00 0.13 -0.23 0.40 -1.65 0.00 0.00 177.43 176.08 3m4r h ILE 204 N 0.41 1.34 -0.46 2.81 2.04 -1.33 -2.18 117.51 120.14 3m4r h ILE 204 Ca 0.31 -1.42 -0.13 0.00 1.00 0.00 0.00 64.86 64.63 3m4r h ILE 204 Cb 0.39 1.85 -0.01 0.00 -0.74 0.00 0.00 36.82 38.31 3m4r h ILE 204 CO -0.31 0.43 -0.21 0.58 0.00 0.00 0.00 178.15 178.64 3m4r h VAL 205 N 0.12 1.27 -0.15 1.67 2.07 -0.98 -1.72 116.25 118.53 3m4r h VAL 205 Ca 0.02 -1.37 -0.08 0.00 0.82 0.00 0.00 66.70 66.09 3m4r h VAL 205 Cb 0.79 1.17 -0.01 0.00 -1.52 0.00 0.00 31.29 31.71 3m4r h VAL 205 CO 0.05 0.47 -0.28 0.77 0.02 0.00 0.00 177.57 178.60 3m4r h SER 206 N 0.80 0.29 -0.69 0.57 4.64 -0.81 0.20 113.55 118.55 3m4r h SER 206 Ca 0.10 -0.09 -0.07 0.00 -0.47 0.00 0.00 61.79 61.26 3m4r h SER 206 Cb 0.78 -0.08 -0.03 0.00 -0.31 0.00 0.00 62.40 62.77 3m4r h SER 206 CO 0.06 0.57 0.14 0.03 -0.87 0.00 0.00 176.83 176.76 3m4r h ARG 207 N 0.26 1.13 -0.08 4.77 3.08 -1.14 0.16 114.38 122.55 3m4r h ARG 207 Ca 0.04 -0.29 -0.00 0.00 0.07 0.00 0.00 59.98 59.80 3m4r h ARG 207 Cb 0.63 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 30.54 3m4r h ARG 207 CO 0.05 1.01 0.05 0.00 -1.07 0.00 0.00 179.97 180.00 3m4r h ALA 208 N 1.08 0.10 0.14 0.04 0.00 -0.28 -2.21 119.26 118.13 3m4r h ALA 208 Ca 0.22 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 3m4r h ALA 208 Cb 0.41 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.17 3m4r h ALA 208 CO 0.01 -0.37 -0.07 1.49 0.00 0.00 0.00 179.25 180.31 3m4r h GLU 209 N 0.05 -0.18 -0.92 0.00 4.81 -0.49 -2.05 114.58 115.79 3m4r h GLU 209 Ca 0.03 0.01 0.24 0.00 -0.13 0.00 0.00 59.36 59.51 3m4r h GLU 209 Cb 0.06 0.04 -0.17 0.00 0.63 0.00 0.00 28.75 29.31 3m4r h GLU 209 CO -0.00 0.01 0.02 -0.91 -0.73 0.00 0.00 179.01 177.39 3m4r h ASN 210 N -0.34 -0.45 -0.29 1.04 2.35 -0.70 0.45 115.58 117.64 3m4r h ASN 210 Ca -0.02 0.26 -0.17 0.00 -0.55 0.00 0.00 56.30 55.82 3m4r h ASN 210 Cb 0.27 0.45 -0.00 0.00 0.05 0.00 0.00 38.32 39.09 3m4r h ASN 210 CO 0.03 -0.30 -0.48 0.15 -1.65 0.00 0.00 177.43 175.19 3m4r h PHE 211 N 0.05 1.04 -0.00 1.19 3.57 -1.05 -3.06 116.94 118.67 3m4r h PHE 211 Ca 0.54 -0.36 0.00 0.00 3.53 0.00 0.00 57.97 61.68 3m4r h PHE 211 Cb 1.06 -0.20 0.00 0.00 2.79 0.00 0.00 35.95 39.60 3m4r h PHE 211 CO -0.48 1.17 -0.10 0.44 -2.23 0.00 0.00 178.31 177.11 3m4r n ILE 212 N -4.08 0.00 0.07 1.41 -5.35 -0.80 -5.11 119.36 105.50 3m4r n ILE 212 Ca -0.04 -0.06 0.01 0.00 -0.27 0.00 0.00 62.75 62.39 3m4r n ILE 212 Cb 0.59 -0.13 0.03 0.00 -1.74 0.00 0.00 39.64 38.40 3m4r n ILE 212 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33