#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d4b s LYS 2 N 0.00 3.97 0.16 3.17 2.47 -1.26 -5.00 119.74 123.25 3d4b s LYS 2 Ca 0.00 0.08 0.02 0.00 -1.56 0.00 0.00 55.97 54.50 3d4b s LYS 2 Cb 0.00 -3.32 -0.02 0.00 -1.46 0.00 0.00 37.83 33.03 3d4b s LYS 2 CO 0.00 0.48 1.37 0.52 0.16 0.00 0.00 175.35 177.88 3d4b h MET 3 N 5.81 0.22 -0.88 4.03 2.86 -2.01 -3.24 114.93 121.72 3d4b h MET 3 Ca -0.47 -0.24 0.20 0.00 -2.06 0.00 0.00 59.70 57.14 3d4b h MET 3 Cb 1.19 0.07 -0.12 0.00 0.06 0.00 0.00 31.60 32.80 3d4b h MET 3 CO 0.68 0.97 0.40 0.87 1.06 0.00 0.00 176.91 180.89 3d4b h LYS 4 N 0.12 0.43 -0.38 1.72 1.57 -1.94 0.44 116.57 118.53 3d4b h LYS 4 Ca -0.05 -0.03 -0.13 0.00 -1.87 0.00 0.00 60.65 58.58 3d4b h LYS 4 Cb 1.51 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 33.71 3d4b h LYS 4 CO 0.14 0.28 -0.28 1.05 -0.57 0.00 0.00 179.45 180.07 3d4b h GLU 5 N 0.44 0.81 -0.08 3.15 9.09 -2.00 0.09 114.58 126.09 3d4b h GLU 5 Ca 0.54 -0.36 -0.01 0.00 0.05 0.00 0.00 59.36 59.58 3d4b h GLU 5 Cb 0.97 -0.02 -0.00 0.00 -1.65 0.00 0.00 28.75 28.05 3d4b h GLU 5 CO -0.49 0.99 0.02 0.35 0.05 0.00 0.00 179.01 179.93 3d4b h PHE 6 N 0.69 0.13 -0.79 2.06 3.57 -1.44 -2.73 116.94 118.44 3d4b h PHE 6 Ca 0.08 -0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.59 3d4b h PHE 6 Cb 0.82 -0.04 -0.04 0.00 2.79 0.00 0.00 35.95 39.48 3d4b h PHE 6 CO 0.05 0.31 0.52 -0.07 -2.23 0.00 0.00 178.31 176.89 3d4b h LEU 7 N -0.08 0.87 0.04 0.59 3.38 -0.67 0.04 115.31 119.48 3d4b h LEU 7 Ca 0.02 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 3d4b h LEU 7 Cb 0.24 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.78 3d4b h LEU 7 CO 0.00 0.61 -0.02 0.44 0.09 0.00 0.00 178.44 179.56 3d4b h ASP 8 N 1.02 -0.05 -0.43 -0.43 3.32 -1.00 0.73 116.42 119.58 3d4b h ASP 8 Ca 0.30 -0.12 0.07 0.00 0.02 0.00 0.00 57.03 57.30 3d4b h ASP 8 Cb -0.03 0.01 -0.06 0.00 0.22 0.00 0.00 39.33 39.47 3d4b h ASP 8 CO -0.08 0.09 0.07 -0.07 -1.72 0.00 0.00 179.24 177.53 3d4b h LEU 9 N -0.19 -0.03 -0.55 1.55 3.38 -1.11 0.72 115.31 119.08 3d4b h LEU 9 Ca -0.01 0.08 0.05 0.00 0.09 0.00 0.00 57.88 58.09 3d4b h LEU 9 Cb 0.17 0.12 -0.05 0.00 0.09 0.00 0.00 40.66 40.99 3d4b h LEU 9 CO 0.01 0.02 0.29 0.25 0.09 0.00 0.00 178.44 179.10 3d4b h LEU 10 N 0.19 0.42 -0.53 1.67 5.85 -0.82 -1.51 115.31 120.58 3d4b h LEU 10 Ca 0.21 0.03 -0.07 0.00 0.84 0.00 0.00 57.88 58.89 3d4b h LEU 10 Cb 0.27 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.24 3d4b h LEU 10 CO -0.29 0.28 -0.33 0.78 -0.34 0.00 0.00 178.44 178.54 3d4b h ASN 11 N 0.55 0.00 0.77 1.25 2.35 -0.31 -3.23 115.58 116.96 3d4b h ASN 11 Ca 0.25 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.00 3d4b h ASN 11 Cb 0.15 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.52 3d4b h ASN 11 CO -0.17 0.33 -0.87 -1.84 -1.65 0.00 0.00 177.43 173.23 3d4b n GLU 12 N -3.30 0.39 -2.21 0.81 0.28 0.20 -4.94 120.64 111.86 3d4b n GLU 12 Ca 0.01 0.07 -0.41 0.00 -0.16 0.00 0.00 57.16 56.66 3d4b n GLU 12 Cb 0.57 -1.70 -0.03 0.00 1.43 0.00 0.00 31.44 31.72 3d4b n GLU 12 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 3d4b s SER 13 N -4.47 6.88 0.20 -1.84 0.15 -0.61 -4.95 113.70 109.06 3d4b s SER 13 Ca 0.03 2.39 0.12 0.00 0.70 0.00 0.00 55.95 59.19 3d4b s SER 13 Cb 0.13 -2.61 -0.05 0.00 -1.71 0.00 0.00 66.02 61.78 3d4b s SER 13 CO 0.77 -0.55 1.33 0.08 1.20 0.00 0.00 173.24 176.06 3d4b h ARG 14 N 5.62 0.00 -2.55 5.44 -0.00 -1.91 -3.45 114.38 117.53 3d4b h ARG 14 Ca -0.44 0.00 -0.16 0.00 -0.00 0.00 0.00 59.98 59.38 3d4b h ARG 14 Cb 1.21 0.00 -0.30 0.00 -0.00 0.00 0.00 29.97 30.88 3d4b h ARG 14 CO 0.79 0.66 -0.46 -1.17 -0.00 0.00 0.00 179.97 179.79 3d4b s LEU 15 N -6.49 -0.49 -0.08 0.08 0.20 -1.26 -4.98 118.68 105.66 3d4b s LEU 15 Ca 0.02 0.67 0.05 0.00 0.69 0.00 0.00 54.13 55.56 3d4b s LEU 15 Cb 0.08 1.02 -0.01 0.00 -0.43 0.00 0.00 46.19 46.86 3d4b s LEU 15 CO 0.78 -0.25 -0.24 -0.89 -0.29 0.00 0.00 176.35 175.46 3d4b s THR 16 N 2.52 2.09 0.16 3.68 2.01 -1.26 -0.27 115.64 124.57 3d4b s THR 16 Ca 0.02 -1.03 0.10 0.00 0.31 0.00 0.00 61.69 61.08 3d4b s THR 16 Cb -0.13 -1.77 -0.04 0.00 0.01 0.00 0.00 72.50 70.57 3d4b s THR 16 CO -0.12 0.57 -0.21 0.54 -0.69 0.00 0.00 174.62 174.71 3d4b s VAL 17 N 0.05 2.00 0.08 3.82 0.11 -0.57 -0.32 120.40 125.57 3d4b s VAL 17 Ca -0.10 -1.88 0.10 0.00 -2.93 0.00 0.00 61.98 57.17 3d4b s VAL 17 Cb -0.16 -1.89 -0.03 0.00 -1.53 0.00 0.00 36.38 32.77 3d4b s VAL 17 CO 0.06 -0.18 -0.26 0.42 -3.33 0.00 0.00 175.10 171.81 3d4b s THR 18 N -1.70 2.24 -0.11 5.04 -4.23 -1.00 -1.14 115.64 114.73 3d4b s THR 18 Ca 0.16 -1.51 0.02 0.00 -1.18 0.00 0.00 61.69 59.17 3d4b s THR 18 Cb -0.07 -1.92 0.02 0.00 1.34 0.00 0.00 72.50 71.86 3d4b s THR 18 CO 0.07 0.26 -0.15 -0.22 -0.54 0.00 0.00 174.62 174.04 3d4b s LEU 19 N -1.56 1.73 0.16 4.79 2.96 -0.09 -0.03 118.68 126.65 3d4b s LEU 19 Ca 0.13 -0.44 0.11 0.00 -0.22 0.00 0.00 54.13 53.71 3d4b s LEU 19 Cb -0.10 -1.11 -0.04 0.00 0.50 0.00 0.00 46.19 45.44 3d4b s LEU 19 CO 0.04 0.01 -0.23 0.42 -1.32 0.00 0.00 176.35 175.26 3d4b s THR 20 N 1.03 2.18 0.00 3.68 -4.23 -0.12 -1.25 115.64 116.93 3d4b s THR 20 Ca -0.05 -1.89 0.00 0.00 -1.18 0.00 0.00 61.69 58.56 3d4b s THR 20 Cb -0.15 -1.99 0.00 0.00 1.34 0.00 0.00 72.50 71.71 3d4b s THR 20 CO -0.02 -0.09 0.00 0.61 -0.54 0.00 0.00 174.62 174.57 3d4b n GLY 21 N 0.52 5.06 0.28 3.99 0.00 -0.95 -1.28 105.19 112.81 3d4b n GLY 21 Ca -0.15 -1.71 0.12 0.00 0.00 0.00 0.00 46.02 44.28 3d4b n GLY 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d4b h ALA 22 N 1.00 1.57 0.00 4.61 0.00 -1.79 -1.95 119.26 122.70 3d4b h ALA 22 Ca 0.00 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 3d4b h ALA 22 Cb 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 3d4b h ALA 22 CO 0.00 0.06 -0.07 0.78 0.00 0.00 0.00 179.25 180.02 3d4b h GLY 23 N 0.24 0.00 2.00 0.00 0.00 -1.05 -0.76 103.07 103.50 3d4b h GLY 23 Ca -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 3d4b h GLY 23 CO 0.01 0.00 -0.05 1.19 0.00 0.00 0.00 176.54 177.69 3d4b h ILE 24 N 0.00 0.09 0.00 2.60 2.10 -1.47 -3.31 117.51 117.52 3d4b h ILE 24 Ca -0.00 -0.95 0.00 0.00 1.08 0.00 0.00 64.86 64.99 3d4b h ILE 24 Cb 0.15 1.87 0.00 0.00 -1.09 0.00 0.00 36.82 37.75 3d4b h ILE 24 CO 0.01 0.04 -0.99 -1.20 -1.08 0.00 0.00 178.15 174.93 3d4b n SER 25 N -3.12 0.96 -0.04 2.19 7.64 -0.35 -4.42 113.62 116.48 3d4b n SER 25 Ca 0.03 -0.95 0.01 0.00 1.01 0.00 0.00 58.87 58.96 3d4b n SER 25 Cb 0.47 0.98 0.31 0.00 -1.01 0.00 0.00 64.21 64.97 3d4b n SER 25 CO 0.00 0.00 0.00 0.71 -3.01 0.00 0.00 175.04 172.74 3d4b h THR 26 N 0.00 1.17 0.00 0.44 1.35 -1.44 -1.27 112.91 113.17 3d4b h THR 26 Ca 0.00 -0.56 0.00 0.00 -0.55 0.00 0.00 66.41 65.30 3d4b h THR 26 Cb 0.51 0.67 0.00 0.00 -1.73 0.00 0.00 68.15 67.60 3d4b h THR 26 CO 0.00 0.21 0.00 -0.65 -0.25 0.00 0.00 175.52 174.83 3d4b h PRO 27 N 0.62 0.00 -0.14 4.72 0.11 -1.80 -0.78 132.00 134.73 3d4b h PRO 27 Ca 0.15 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.26 3d4b h PRO 27 Cb 0.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.27 3d4b h PRO 27 CO -0.01 0.00 0.00 0.43 -0.21 0.00 0.00 178.00 178.21 3d4b n SER 28 N -2.62 1.95 0.00 -2.05 7.64 -0.49 -4.95 113.62 113.10 3d4b n SER 28 Ca -0.01 -1.71 0.00 0.00 1.01 0.00 0.00 58.87 58.16 3d4b n SER 28 Cb 0.14 -0.09 0.00 0.00 -1.01 0.00 0.00 64.21 63.25 3d4b n SER 28 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3d4b n GLY 29 N 1.21 0.85 3.58 0.23 0.00 -0.30 -4.37 105.19 106.39 3d4b n GLY 29 Ca 0.17 -0.09 -0.38 0.00 0.00 0.00 0.00 46.02 45.72 3d4b n GLY 29 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3d4b s ILE 30 N -2.00 5.30 0.51 -0.61 1.01 -1.14 -5.02 121.20 119.25 3d4b s ILE 30 Ca 0.00 0.09 -0.22 0.00 0.00 0.00 0.00 60.65 60.52 3d4b s ILE 30 Cb 0.00 -3.57 -0.06 0.00 0.01 0.00 0.00 42.46 38.84 3d4b s ILE 30 CO 0.00 0.20 1.22 -2.84 0.00 0.00 0.00 174.94 173.52 3d4b s PRO 31 N 1.75 3.46 0.00 2.79 0.02 -1.26 -3.47 135.00 138.30 3d4b s PRO 31 Ca 0.07 1.91 0.00 0.00 0.02 0.00 0.00 61.00 62.99 3d4b s PRO 31 Cb -0.16 -2.28 0.00 0.00 0.02 0.00 0.00 34.50 32.07 3d4b s PRO 31 CO 0.11 -0.83 0.00 -0.40 -0.33 0.00 0.00 177.00 175.55 3d4b n ASP 32 N -0.82 0.00 -4.95 2.53 3.85 -1.26 -4.96 116.55 110.93 3d4b n ASP 32 Ca 0.09 -0.51 -0.23 0.00 -0.71 0.00 0.00 54.79 53.43 3d4b n ASP 32 Cb 0.47 0.00 0.03 0.00 -1.35 0.00 0.00 41.12 40.27 3d4b n ASP 32 CO 0.00 0.00 0.00 -0.36 -1.01 0.00 0.00 177.20 175.83 3d4b s PHE 33 N 0.23 3.06 0.00 2.11 2.99 -1.26 -5.15 117.98 119.96 3d4b s PHE 33 Ca 0.00 0.22 0.00 0.00 0.00 0.00 0.00 56.93 57.15 3d4b s PHE 33 Cb 0.00 -2.64 0.00 0.00 0.00 0.00 0.00 43.02 40.38 3d4b s PHE 33 CO 0.00 -0.74 0.00 -1.71 -0.00 0.00 0.00 175.22 172.77 3d4b n ASN 46 N -2.34 0.00 0.26 1.36 2.85 -1.26 -5.27 115.26 110.86 3d4b n ASN 46 Ca 0.05 0.00 0.18 0.00 -0.11 0.00 0.00 54.58 54.70 3d4b n ASN 46 Cb 0.59 0.00 0.94 0.00 1.24 0.00 0.00 39.78 42.55 3d4b n ASN 46 CO 0.00 0.00 0.00 -0.37 -2.11 0.00 0.00 177.26 174.78 3d4b h VAL 47 N 0.00 0.00 -0.55 3.44 -1.51 -1.99 -1.31 116.25 114.32 3d4b h VAL 47 Ca 0.00 -0.02 0.00 0.00 -1.23 0.00 0.00 66.70 65.45 3d4b h VAL 47 Cb 0.00 0.81 0.00 0.00 -2.13 0.00 0.00 31.29 29.97 3d4b h VAL 47 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 177.57 176.83 3d4b n PHE 48 N -2.73 0.73 -3.03 5.19 3.72 -1.26 -4.62 117.46 115.45 3d4b n PHE 48 Ca -0.02 -0.37 -0.40 0.00 -0.05 0.00 0.00 57.45 56.61 3d4b n PHE 48 Cb 0.07 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 38.56 3d4b n PHE 48 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 3d4b s ASP 49 N -1.08 7.09 0.31 4.37 1.01 -0.50 -0.84 116.67 127.03 3d4b s ASP 49 Ca 0.39 1.31 -0.01 0.00 0.71 0.00 0.00 52.55 54.95 3d4b s ASP 49 Cb 0.21 -2.43 0.50 0.00 1.01 0.00 0.00 42.92 42.20 3d4b s ASP 49 CO 0.28 -0.03 1.98 -0.29 0.21 0.00 0.00 175.17 177.31 3d4b h ILE 50 N 4.40 1.19 0.00 0.77 6.09 -1.60 -1.63 117.51 126.73 3d4b h ILE 50 Ca -0.43 -0.36 -0.10 0.00 -1.37 0.00 0.00 64.86 62.60 3d4b h ILE 50 Cb 1.20 0.05 -0.01 0.00 0.47 0.00 0.00 36.82 38.53 3d4b h ILE 50 CO 0.73 0.19 -0.47 -2.24 -3.07 0.00 0.00 178.15 173.29 3d4b h ASP 51 N 1.05 0.00 -0.31 2.19 2.03 -1.94 -2.26 116.42 117.18 3d4b h ASP 51 Ca 0.29 0.00 -0.07 0.00 -0.73 0.00 0.00 57.03 56.52 3d4b h ASP 51 Cb -0.11 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 38.38 3d4b h ASP 51 CO -0.06 0.47 -0.06 0.15 -1.03 0.00 0.00 179.24 178.70 3d4b h PHE 52 N 0.00 0.66 -0.14 4.15 3.57 -1.61 -1.15 116.94 122.42 3d4b h PHE 52 Ca -0.00 -0.14 0.02 0.00 3.53 0.00 0.00 57.97 61.38 3d4b h PHE 52 Cb 0.87 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 39.43 3d4b h PHE 52 CO 0.00 0.76 -0.01 0.35 -2.23 0.00 0.00 178.31 177.19 3d4b h PHE 53 N 0.36 -0.02 -0.05 0.41 3.57 -0.99 0.21 116.94 120.43 3d4b h PHE 53 Ca 0.08 0.01 -0.14 0.00 3.53 0.00 0.00 57.97 61.45 3d4b h PHE 53 Cb 0.54 0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.30 3d4b h PHE 53 CO 0.05 -0.03 -0.62 1.88 -2.23 0.00 0.00 178.31 177.37 3d4b h TYR 54 N 0.04 0.24 -0.05 0.41 0.05 -1.45 -2.03 116.97 114.18 3d4b h TYR 54 Ca 0.06 -0.09 -0.17 0.00 0.05 0.00 0.00 58.73 58.58 3d4b h TYR 54 Cb 0.08 -0.04 -0.01 0.00 1.01 0.00 0.00 36.73 37.77 3d4b h TYR 54 CO -0.15 0.75 -0.70 0.77 -1.05 0.00 0.00 178.16 177.78 3d4b h SER 55 N 0.14 0.29 -1.71 3.88 0.02 -0.95 -3.40 113.55 111.83 3d4b h SER 55 Ca -0.01 -0.19 -0.44 0.00 -0.84 0.00 0.00 61.79 60.31 3d4b h SER 55 Cb 1.12 -0.09 -0.38 0.00 0.14 0.00 0.00 62.40 63.19 3d4b h SER 55 CO 0.09 0.90 -1.13 1.41 -1.14 0.00 0.00 176.83 176.97 3d4b n HIS 56 N -3.80 -0.00 0.12 3.45 8.25 0.70 -4.97 115.22 118.97 3d4b n HIS 56 Ca -0.03 -3.55 0.03 0.00 -0.26 0.00 0.00 57.72 53.91 3d4b n HIS 56 Cb 0.69 -0.22 0.42 0.00 1.12 0.00 0.00 29.99 32.00 3d4b n HIS 56 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 3d4b h PRO 57 N 2.99 0.25 -0.52 -0.41 0.13 -1.54 -0.80 132.00 132.10 3d4b h PRO 57 Ca 0.06 -0.04 -0.04 0.00 -0.87 0.00 0.00 66.00 65.10 3d4b h PRO 57 Cb 1.01 -0.04 -0.02 0.00 0.13 0.00 0.00 31.00 32.07 3d4b h PRO 57 CO 0.46 0.33 0.15 1.05 -0.23 0.00 0.00 178.00 179.76 3d4b h GLU 58 N 0.24 0.78 -0.34 0.86 9.09 -1.87 -1.22 114.58 122.11 3d4b h GLU 58 Ca 0.05 -0.14 -0.14 0.00 0.05 0.00 0.00 59.36 59.19 3d4b h GLU 58 Cb 0.27 -0.12 -0.01 0.00 -1.65 0.00 0.00 28.75 27.24 3d4b h GLU 58 CO 0.01 0.69 -0.31 0.93 0.05 0.00 0.00 179.01 180.37 3d4b h GLU 59 N 0.75 0.82 -0.50 1.06 4.39 -1.54 -1.55 114.58 118.01 3d4b h GLU 59 Ca 0.17 -0.42 0.07 0.00 0.34 0.00 0.00 59.36 59.51 3d4b h GLU 59 Cb 0.25 0.01 -0.06 0.00 -0.10 0.00 0.00 28.75 28.85 3d4b h GLU 59 CO -0.01 1.06 0.19 0.35 -1.16 0.00 0.00 179.01 179.44 3d4b h PHE 60 N 0.60 0.34 0.00 4.33 3.57 -0.99 -1.09 116.94 123.71 3d4b h PHE 60 Ca 0.06 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.56 3d4b h PHE 60 Cb 0.89 -0.08 -0.00 0.00 2.79 0.00 0.00 35.95 39.55 3d4b h PHE 60 CO 0.07 0.12 -0.09 1.88 -2.23 0.00 0.00 178.31 178.06 3d4b h TYR 61 N 0.38 0.00 -0.04 0.41 0.05 -1.15 0.23 116.97 116.86 3d4b h TYR 61 Ca 0.24 0.00 -0.04 0.00 0.05 0.00 0.00 58.73 58.98 3d4b h TYR 61 Cb 0.24 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.98 3d4b h TYR 61 CO -0.15 0.09 -0.15 -0.09 -1.05 0.00 0.00 178.16 176.81 3d4b h ARG 62 N 0.00 0.16 -0.70 4.88 2.43 -1.01 -2.83 114.38 117.31 3d4b h ARG 62 Ca -0.00 -0.13 0.10 0.00 -0.81 0.00 0.00 59.98 59.14 3d4b h ARG 62 Cb 0.81 0.02 -0.07 0.00 -0.42 0.00 0.00 29.97 30.31 3d4b h ARG 62 CO 0.01 0.77 0.34 0.35 -1.51 0.00 0.00 179.97 179.93 3d4b h PHE 63 N -0.41 0.60 -0.86 2.20 3.57 -0.91 -3.04 116.94 118.10 3d4b h PHE 63 Ca -0.01 0.03 0.09 0.00 3.53 0.00 0.00 57.97 61.61 3d4b h PHE 63 Cb 0.80 -0.16 -0.07 0.00 2.79 0.00 0.00 35.95 39.30 3d4b h PHE 63 CO 0.14 0.21 0.51 0.00 -2.23 0.00 0.00 178.31 176.93 3d4b h ALA 64 N 1.43 1.22 -0.97 2.41 0.00 -0.48 0.43 119.26 123.31 3d4b h ALA 64 Ca 0.35 0.02 0.16 0.00 0.00 0.00 0.00 54.91 55.44 3d4b h ALA 64 Cb 0.38 -0.16 -0.10 0.00 0.00 0.00 0.00 17.79 17.91 3d4b h ALA 64 CO -0.28 0.15 0.58 0.87 0.00 0.00 0.00 179.25 180.57 3d4b h LYS 65 N 0.86 0.78 0.12 0.00 1.57 -1.37 0.18 116.57 118.71 3d4b h LYS 65 Ca 0.41 -0.05 -0.34 0.00 -1.87 0.00 0.00 60.65 58.80 3d4b h LYS 65 Cb 0.34 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 3d4b h LYS 65 CO -0.23 0.52 -1.78 0.93 -0.57 0.00 0.00 179.45 178.31 3d4b h GLU 66 N 0.81 0.26 0.00 3.15 5.08 -1.34 -3.41 114.58 119.13 3d4b h GLU 66 Ca 0.53 -0.45 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 3d4b h GLU 66 Cb 0.72 0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.13 3d4b h GLU 66 CO -0.34 1.21 -0.70 0.41 -1.00 0.00 0.00 179.01 178.59 3d4b n GLY 67 N 1.87 -0.14 1.04 -3.84 0.00 0.14 -4.67 105.19 99.59 3d4b n GLY 67 Ca -0.29 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.41 3d4b n GLY 67 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3d4b n ILE 68 N -1.37 0.86 -0.17 -0.61 5.41 0.41 -4.66 119.36 119.23 3d4b n ILE 68 Ca 0.01 0.29 -0.01 0.00 1.00 0.00 0.00 62.75 64.04 3d4b n ILE 68 Cb 0.20 -1.56 0.08 0.00 -0.71 0.00 0.00 39.64 37.65 3d4b n ILE 68 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 176.55 176.29 3d4b h PHE 69 N 0.00 0.08 0.00 1.39 0.04 -1.20 0.20 116.94 117.45 3d4b h PHE 69 Ca 0.00 0.04 0.00 0.00 2.80 0.00 0.00 57.97 60.81 3d4b h PHE 69 Cb 0.30 0.04 0.00 0.00 2.20 0.00 0.00 35.95 38.49 3d4b h PHE 69 CO 0.00 -0.07 0.05 -2.30 -0.60 0.00 0.00 178.31 175.39 3d4b n PRO 70 N -5.17 0.11 0.01 1.51 -0.02 -1.26 -1.56 135.00 128.62 3d4b n PRO 70 Ca 0.07 0.60 0.00 0.00 -2.02 0.00 0.00 63.50 62.15 3d4b n PRO 70 Cb 0.28 -1.92 0.02 0.00 -0.02 0.00 0.00 33.50 31.86 3d4b n PRO 70 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 3d4b n MET 71 N -2.12 0.00 0.05 -0.52 2.81 0.69 -1.07 117.12 116.98 3d4b n MET 71 Ca -0.01 0.25 -0.20 0.00 -1.81 0.00 0.00 57.70 55.93 3d4b n MET 71 Cb 0.08 -1.78 -0.15 0.00 -0.71 0.00 0.00 33.22 30.66 3d4b n MET 71 CO 0.00 0.00 0.00 -0.07 1.51 0.00 0.00 175.97 177.41 3d4b h LEU 72 N 0.00 0.48 -2.66 4.03 3.38 -1.48 -3.16 115.31 115.90 3d4b h LEU 72 Ca 0.00 -0.94 0.00 0.00 0.09 0.00 0.00 57.88 57.03 3d4b h LEU 72 Cb 0.54 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.13 3d4b h LEU 72 CO 0.00 1.43 0.08 1.56 0.09 0.00 0.00 178.44 181.60 3d4b h GLN 73 N -0.34 0.00 -6.78 1.13 1.08 -1.32 -3.45 115.11 105.42 3d4b h GLN 73 Ca -0.16 0.00 -0.51 0.00 -1.45 0.00 0.00 58.65 56.53 3d4b h GLN 73 Cb 1.68 0.00 0.02 0.00 -0.05 0.00 0.00 27.48 29.14 3d4b h GLN 73 CO 0.15 0.00 0.51 0.00 -0.95 0.00 0.00 178.83 178.54 3d4b s ALA 74 N -4.09 3.42 0.00 3.87 0.00 -1.20 -5.02 121.76 118.75 3d4b s ALA 74 Ca -0.04 0.94 -0.01 0.00 0.00 0.00 0.00 51.96 52.85 3d4b s ALA 74 Cb 0.12 -3.36 -0.04 0.00 0.00 0.00 0.00 23.12 19.84 3d4b s ALA 74 CO 0.36 -0.25 0.10 0.15 0.00 0.00 0.00 175.76 176.13 3d4b s LYS 75 N -1.24 3.13 0.56 0.00 1.02 -1.26 -5.02 119.74 116.94 3d4b s LYS 75 Ca 0.46 -0.47 -0.21 0.00 0.02 0.00 0.00 55.97 55.78 3d4b s LYS 75 Cb -0.33 -2.90 -0.04 0.00 -0.52 0.00 0.00 37.83 34.04 3d4b s LYS 75 CO 0.41 0.65 1.33 -1.25 -0.92 0.00 0.00 175.35 175.57 3d4b s PRO 76 N -1.83 3.05 0.58 -1.68 0.04 -1.26 -4.68 135.00 129.21 3d4b s PRO 76 Ca 0.24 2.16 0.07 0.00 0.04 0.00 0.00 61.00 63.52 3d4b s PRO 76 Cb -0.12 -2.17 0.07 0.00 0.04 0.00 0.00 34.50 32.32 3d4b s PRO 76 CO 0.16 -1.24 0.61 0.54 0.04 0.00 0.00 177.00 177.10 3d4b s ASN 77 N -1.09 4.80 0.46 6.66 2.20 -1.26 -4.95 114.94 121.75 3d4b s ASN 77 Ca 0.74 -1.12 0.14 0.00 -0.94 0.00 0.00 52.86 51.67 3d4b s ASN 77 Cb -0.39 0.51 1.06 0.00 -2.00 0.00 0.00 41.25 40.43 3d4b s ASN 77 CO 0.45 -1.29 2.05 0.25 -2.94 0.00 0.00 177.10 175.61 3d4b h LEU 78 N 0.42 0.07 -0.36 3.54 5.85 -1.95 -1.64 115.31 121.23 3d4b h LEU 78 Ca -0.32 -0.01 -0.11 0.00 0.84 0.00 0.00 57.88 58.28 3d4b h LEU 78 Cb 1.30 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 42.30 3d4b h LEU 78 CO 0.49 0.15 -0.21 0.00 -0.34 0.00 0.00 178.44 178.53 3d4b h ALA 79 N 1.86 0.51 -0.61 1.25 0.00 -1.86 0.36 119.26 120.78 3d4b h ALA 79 Ca 0.02 -0.37 0.02 0.00 0.00 0.00 0.00 54.91 54.58 3d4b h ALA 79 Cb 0.17 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 3d4b h ALA 79 CO 0.01 0.48 0.37 0.45 0.00 0.00 0.00 179.25 180.56 3d4b h HIS 80 N 0.57 0.70 -0.61 0.00 3.86 -1.66 -2.43 115.15 115.58 3d4b h HIS 80 Ca 0.08 0.02 -0.03 0.00 -1.16 0.00 0.00 60.37 59.28 3d4b h HIS 80 Cb 0.77 -0.23 -0.03 0.00 1.06 0.00 0.00 27.41 28.98 3d4b h HIS 80 CO 0.06 0.41 0.27 0.28 0.86 0.00 0.00 177.93 179.80 3d4b h VAL 81 N 0.74 1.22 -0.61 2.45 2.07 -1.02 -2.08 116.25 119.02 3d4b h VAL 81 Ca 0.24 -0.67 0.05 0.00 0.82 0.00 0.00 66.70 67.14 3d4b h VAL 81 Cb 0.01 0.53 -0.05 0.00 -1.52 0.00 0.00 31.29 30.26 3d4b h VAL 81 CO -0.10 0.27 0.33 0.25 0.02 0.00 0.00 177.57 178.34 3d4b h LEU 82 N 0.85 0.48 -0.81 2.57 5.85 -0.02 0.06 115.31 124.28 3d4b h LEU 82 Ca 0.21 0.03 -0.05 0.00 0.84 0.00 0.00 57.88 58.91 3d4b h LEU 82 Cb 0.17 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.10 3d4b h LEU 82 CO -0.02 0.32 0.28 -0.07 -0.34 0.00 0.00 178.44 178.61 3d4b h LEU 83 N 0.62 1.07 -0.60 2.25 3.38 -0.99 0.16 115.31 121.19 3d4b h LEU 83 Ca 0.27 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 58.06 3d4b h LEU 83 Cb 0.16 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 3d4b h LEU 83 CO -0.17 0.97 0.38 0.00 0.09 0.00 0.00 178.44 179.71 3d4b h ALA 84 N 1.18 0.77 -0.55 1.53 0.00 -0.70 -1.03 119.26 120.46 3d4b h ALA 84 Ca 0.25 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 55.00 3d4b h ALA 84 Cb 0.25 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 3d4b h ALA 84 CO -0.02 0.23 -0.07 0.87 0.00 0.00 0.00 179.25 180.26 3d4b h LYS 85 N 0.82 1.00 -0.63 0.00 1.57 -0.57 -1.26 116.57 117.50 3d4b h LYS 85 Ca 0.22 -0.34 -0.02 0.00 -1.87 0.00 0.00 60.65 58.64 3d4b h LYS 85 Cb -0.06 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.15 3d4b h LYS 85 CO -0.04 1.02 0.33 -0.07 -0.57 0.00 0.00 179.45 180.12 3d4b h LEU 86 N 0.90 0.79 -0.53 2.94 3.38 -0.83 -0.91 115.31 121.04 3d4b h LEU 86 Ca 0.15 -0.10 0.01 0.00 0.09 0.00 0.00 57.88 58.02 3d4b h LEU 86 Cb 0.62 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.14 3d4b h LEU 86 CO 0.04 0.67 0.35 -0.08 0.09 0.00 0.00 178.44 179.51 3d4b h GLU 87 N 0.85 0.68 -1.00 1.13 4.81 -0.97 0.31 114.58 120.40 3d4b h GLU 87 Ca 0.22 -0.04 0.02 0.00 -0.13 0.00 0.00 59.36 59.43 3d4b h GLU 87 Cb 0.06 -0.15 -0.05 0.00 0.63 0.00 0.00 28.75 29.24 3d4b h GLU 87 CO -0.03 0.45 0.66 0.93 -0.73 0.00 0.00 179.01 180.29 3d4b h GLU 88 N 0.70 1.27 0.00 1.92 5.08 -0.89 -1.35 114.58 121.31 3d4b h GLU 88 Ca 0.20 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 3d4b h GLU 88 Cb -0.06 -0.29 0.00 0.00 0.50 0.00 0.00 28.75 28.90 3d4b h GLU 88 CO -0.05 0.84 0.00 1.63 -1.00 0.00 0.00 179.01 180.43 3d4b n LYS 89 N -4.41 0.45 -1.13 2.33 5.02 -0.38 -4.88 118.16 115.16 3d4b n LYS 89 Ca 0.13 0.04 -0.04 0.00 -2.02 0.00 0.00 58.31 56.42 3d4b n LYS 89 Cb 0.05 -1.50 -0.02 0.00 -0.02 0.00 0.00 35.03 33.55 3d4b n LYS 89 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3d4b n GLY 90 N 0.72 0.72 0.06 0.72 0.00 -0.51 -4.94 105.19 101.96 3d4b n GLY 90 Ca 0.13 -0.67 0.11 0.00 0.00 0.00 0.00 46.02 45.59 3d4b n GLY 90 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3d4b n LEU 91 N -0.50 0.66 -4.09 0.99 4.77 0.11 -4.84 117.00 114.09 3d4b n LEU 91 Ca -0.04 0.14 -0.16 0.00 -0.03 0.00 0.00 56.01 55.92 3d4b n LEU 91 Cb 0.17 -0.11 -0.12 0.00 -2.33 0.00 0.00 43.42 41.03 3d4b n LEU 91 CO 0.07 -0.05 -0.43 0.27 -1.33 0.00 0.00 177.39 175.92 3d4b s ILE 92 N -3.25 0.78 0.02 -0.08 -4.36 -1.15 -4.65 121.20 108.51 3d4b s ILE 92 Ca 0.03 -1.00 -0.09 0.00 -0.26 0.00 0.00 60.65 59.32 3d4b s ILE 92 Cb 0.13 -0.77 -0.31 0.00 1.25 0.00 0.00 42.46 42.76 3d4b s ILE 92 CO 0.78 -0.20 0.93 -0.08 0.24 0.00 0.00 174.94 176.61 3d4b h GLU 93 N 4.74 0.39 -2.16 0.37 4.57 -1.00 -3.40 114.58 118.10 3d4b h GLU 93 Ca -0.36 -0.66 0.03 0.00 -1.18 0.00 0.00 59.36 57.19 3d4b h GLU 93 Cb 1.19 0.25 -0.18 0.00 -0.16 0.00 0.00 28.75 29.85 3d4b h GLU 93 CO 0.42 1.29 0.37 0.00 -1.18 0.00 0.00 179.01 179.92 3d4b s ALA 94 N -2.61 -1.80 -0.28 2.92 0.00 -1.26 -4.82 121.76 113.91 3d4b s ALA 94 Ca -0.09 1.15 -0.07 0.00 0.00 0.00 0.00 51.96 52.94 3d4b s ALA 94 Cb 0.06 0.10 -0.00 0.00 0.00 0.00 0.00 23.12 23.28 3d4b s ALA 94 CO 0.89 -0.52 0.08 0.08 0.00 0.00 0.00 175.76 176.29 3d4b s VAL 95 N -2.20 4.05 -0.16 0.00 1.01 -0.31 -2.36 120.40 120.42 3d4b s VAL 95 Ca -0.02 -0.55 -0.16 0.00 0.00 0.00 0.00 61.98 61.25 3d4b s VAL 95 Cb -0.01 -3.03 -0.04 0.00 0.00 0.00 0.00 36.38 33.30 3d4b s VAL 95 CO -0.02 0.15 0.38 -0.63 0.00 0.00 0.00 175.10 174.99 3d4b s ILE 96 N 1.53 5.24 0.03 2.22 1.01 0.96 -0.39 121.20 131.80 3d4b s ILE 96 Ca 0.04 0.72 0.05 0.00 0.00 0.00 0.00 60.65 61.45 3d4b s ILE 96 Cb -0.17 -3.72 -0.02 0.00 0.01 0.00 0.00 42.46 38.57 3d4b s ILE 96 CO 0.03 0.32 -0.14 0.28 0.00 0.00 0.00 174.94 175.42 3d4b s THR 97 N 0.83 1.12 -1.03 2.92 -1.32 -0.18 -0.94 115.64 117.04 3d4b s THR 97 Ca 0.20 -0.90 0.26 0.00 -1.21 0.00 0.00 61.69 60.04 3d4b s THR 97 Cb -0.14 -0.99 0.04 0.00 -1.51 0.00 0.00 72.50 69.90 3d4b s THR 97 CO 0.07 0.09 1.48 0.00 -2.21 0.00 0.00 174.62 174.05 3d4b n GLN 98 N 2.11 0.03 -2.82 7.08 6.02 -0.40 -1.77 117.38 127.62 3d4b n GLN 98 Ca -0.17 -0.02 -0.33 0.00 -0.01 0.00 0.00 57.00 56.47 3d4b n GLN 98 Cb 0.55 -1.50 -0.07 0.00 1.02 0.00 0.00 30.24 30.24 3d4b n GLN 98 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 3d4b s ASN 99 N -2.98 6.96 0.00 1.08 0.01 -1.26 -4.60 114.94 114.15 3d4b s ASN 99 Ca 0.12 1.69 0.11 0.00 -0.71 0.00 0.00 52.86 54.07 3d4b s ASN 99 Cb 0.18 -2.54 0.26 0.00 0.41 0.00 0.00 41.25 39.56 3d4b s ASN 99 CO 0.67 -0.34 1.17 2.30 -1.51 0.00 0.00 177.10 179.40 3d4b n ILE 100 N -0.55 0.77 1.28 0.60 -5.35 -1.26 -4.72 119.36 110.13 3d4b n ILE 100 Ca 0.07 -0.89 0.13 0.00 -0.27 0.00 0.00 62.75 61.79 3d4b n ILE 100 Cb 0.54 0.67 0.35 0.00 -1.74 0.00 0.00 39.64 39.45 3d4b n ILE 100 CO 0.00 0.00 0.00 -0.90 -1.76 0.00 0.00 176.55 173.89 3d4b n ASP 101 N 0.56 1.66 -1.26 7.28 5.68 -1.26 -1.56 116.55 127.65 3d4b n ASP 101 Ca 0.11 -1.39 -0.14 0.00 -0.50 0.00 0.00 54.79 52.87 3d4b n ASP 101 Cb 0.40 0.10 -0.06 0.00 -1.14 0.00 0.00 41.12 40.42 3d4b n ASP 101 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 3d4b n ARG 102 N 0.09 -1.44 0.11 0.11 5.12 -1.26 -4.87 116.66 114.51 3d4b n ARG 102 Ca 0.15 0.86 -0.00 0.00 -1.93 0.00 0.00 57.85 56.93 3d4b n ARG 102 Cb 0.41 -5.11 0.29 0.00 -1.16 0.00 0.00 32.46 26.89 3d4b n ARG 102 CO 0.00 0.00 0.00 -0.07 -1.93 0.00 0.00 177.63 175.63 3d4b h LEU 103 N 0.00 0.23 -0.52 0.55 3.38 -1.93 -1.38 115.31 115.63 3d4b h LEU 103 Ca -0.28 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 57.61 3d4b h LEU 103 Cb 0.99 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.66 3d4b h LEU 103 CO 0.41 0.53 0.30 0.45 0.09 0.00 0.00 178.44 180.21 3d4b h HIS 104 N 0.20 0.70 -0.38 1.13 3.86 -1.94 -1.31 115.15 117.41 3d4b h HIS 104 Ca 0.03 -0.01 -0.10 0.00 -1.16 0.00 0.00 60.37 59.13 3d4b h HIS 104 Cb 0.64 -0.23 -0.02 0.00 1.06 0.00 0.00 27.41 28.86 3d4b h HIS 104 CO 0.01 0.51 -0.17 1.96 0.86 0.00 0.00 177.93 181.10 3d4b h GLN 105 N 0.70 0.71 0.00 2.45 7.50 -1.70 -1.49 115.11 123.27 3d4b h GLN 105 Ca 0.18 -0.26 -0.02 0.00 0.50 0.00 0.00 58.65 59.06 3d4b h GLN 105 Cb 0.02 -0.05 -0.00 0.00 0.05 0.00 0.00 27.48 27.50 3d4b h GLN 105 CO -0.03 0.84 -0.10 0.00 -1.50 0.00 0.00 178.83 178.04 3d4b h ARG 106 N 0.64 0.00 0.00 1.46 3.08 -0.74 -1.96 114.38 116.85 3d4b h ARG 106 Ca 0.10 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.15 3d4b h ARG 106 Cb 0.64 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.69 3d4b h ARG 106 CO 0.05 0.10 -0.30 0.00 -1.07 0.00 0.00 179.97 178.74 3d4b n ALA 107 N -2.20 3.04 0.00 0.04 0.00 -0.54 -4.87 120.51 115.98 3d4b n ALA 107 Ca -0.01 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.18 3d4b n ALA 107 Cb 0.27 -1.26 0.00 0.00 0.00 0.00 0.00 19.45 18.46 3d4b n ALA 107 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3d4b n GLY 108 N 1.49 0.92 3.75 0.00 0.00 -0.74 -4.74 105.19 105.87 3d4b n GLY 108 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 3d4b n GLY 108 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3d4b s SER 109 N -2.02 6.86 -0.27 1.61 0.01 -0.60 -4.91 113.70 114.38 3d4b s SER 109 Ca 0.00 2.50 -0.13 0.00 1.31 0.00 0.00 55.95 59.63 3d4b s SER 109 Cb 0.00 -2.62 -0.14 0.00 0.21 0.00 0.00 66.02 63.47 3d4b s SER 109 CO 0.00 -0.52 -0.26 0.29 0.41 0.00 0.00 173.24 173.15 3d4b n LYS 110 N 2.02 0.60 -3.02 12.44 4.76 -1.26 -4.35 118.16 129.34 3d4b n LYS 110 Ca 0.04 0.29 -0.44 0.00 -2.87 0.00 0.00 58.31 55.32 3d4b n LYS 110 Cb 0.42 -1.53 -0.02 0.00 -1.84 0.00 0.00 35.03 32.07 3d4b n LYS 110 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 3d4b s LYS 111 N -2.49 3.73 -0.16 1.97 3.01 -1.26 -4.97 119.74 119.57 3d4b s LYS 111 Ca -0.37 -2.13 0.00 0.00 -1.01 0.00 0.00 55.97 52.46 3d4b s LYS 111 Cb 0.13 -4.84 -0.00 0.00 -1.01 0.00 0.00 37.83 32.10 3d4b s LYS 111 CO 0.52 -1.66 -0.15 0.08 0.51 0.00 0.00 175.35 174.65 3d4b s VAL 112 N 1.81 2.71 -0.42 3.17 1.01 -1.26 -1.16 120.40 126.25 3d4b s VAL 112 Ca 0.32 -0.76 -0.15 0.00 0.00 0.00 0.00 61.98 61.40 3d4b s VAL 112 Cb -0.06 -2.15 0.04 0.00 0.00 0.00 0.00 36.38 34.21 3d4b s VAL 112 CO -0.07 0.51 0.32 -0.63 0.00 0.00 0.00 175.10 175.22 3d4b s ILE 113 N 0.83 5.18 -0.77 2.22 1.01 0.48 -4.98 121.20 125.17 3d4b s ILE 113 Ca -0.05 -0.79 -0.22 0.00 0.00 0.00 0.00 60.65 59.59 3d4b s ILE 113 Cb -0.15 -3.95 0.08 0.00 0.01 0.00 0.00 42.46 38.45 3d4b s ILE 113 CO -0.00 -0.38 1.09 -1.61 0.00 0.00 0.00 174.94 174.04 3d4b s GLU 114 N 1.66 3.29 0.42 2.79 2.02 -1.26 -1.01 118.70 126.61 3d4b s GLU 114 Ca 0.04 -1.04 0.09 0.00 0.02 0.00 0.00 54.97 54.09 3d4b s GLU 114 Cb -0.20 -4.51 0.91 0.00 0.10 0.00 0.00 34.13 30.43 3d4b s GLU 114 CO 0.09 -1.88 2.04 -0.07 0.02 0.00 0.00 175.26 175.45 3d4b h LEU 115 N 11.43 0.44 -3.06 1.80 3.38 -1.68 -3.08 115.31 124.54 3d4b h LEU 115 Ca -0.13 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 3d4b h LEU 115 Cb 1.05 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.70 3d4b h LEU 115 CO 1.20 0.30 -0.04 1.41 0.09 0.00 0.00 178.44 181.40 3d4b n HIS 116 N -4.48 0.22 -4.51 1.13 8.25 -1.26 -4.46 115.22 110.11 3d4b n HIS 116 Ca 0.05 -1.03 0.00 0.00 -0.26 0.00 0.00 57.72 56.48 3d4b n HIS 116 Cb 0.15 -0.20 0.00 0.00 1.12 0.00 0.00 29.99 31.06 3d4b n HIS 116 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3d4b n GLY 117 N -1.23 0.07 3.36 -1.41 0.00 -1.17 -1.17 105.19 103.65 3d4b n GLY 117 Ca 0.18 -0.95 -0.10 0.00 0.00 0.00 0.00 46.02 45.15 3d4b n GLY 117 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3d4b s ASN 118 N -4.00 -0.27 -0.02 1.61 2.20 -0.60 -4.32 114.94 109.54 3d4b s ASN 118 Ca 0.00 -0.33 0.12 0.00 -0.94 0.00 0.00 52.86 51.71 3d4b s ASN 118 Cb 0.00 0.50 0.37 0.00 -2.00 0.00 0.00 41.25 40.13 3d4b s ASN 118 CO 0.00 -0.90 1.28 1.33 -2.94 0.00 0.00 177.10 175.87 3d4b n VAL 119 N -0.26 0.69 0.05 3.54 0.24 -0.60 -3.83 118.33 118.16 3d4b n VAL 119 Ca -0.15 -0.58 0.00 0.00 -2.04 0.00 0.00 64.34 61.58 3d4b n VAL 119 Cb 0.64 0.17 -0.06 0.00 -1.47 0.00 0.00 33.84 33.12 3d4b n VAL 119 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 3d4b h GLU 120 N 2.36 0.00 -6.00 7.34 5.08 -1.95 -3.44 114.58 117.96 3d4b h GLU 120 Ca 0.00 0.00 -0.68 0.00 -1.00 0.00 0.00 59.36 57.68 3d4b h GLU 120 Cb 0.66 0.00 -0.17 0.00 0.50 0.00 0.00 28.75 29.75 3d4b h GLU 120 CO 0.04 0.34 -0.65 -1.21 -1.00 0.00 0.00 179.01 176.54 3d4b s GLU 121 N -2.93 2.94 0.08 2.33 2.02 -1.25 -1.95 118.70 119.93 3d4b s GLU 121 Ca -0.01 -0.46 0.01 0.00 0.02 0.00 0.00 54.97 54.53 3d4b s GLU 121 Cb 0.08 -2.73 -0.04 0.00 0.10 0.00 0.00 34.13 31.54 3d4b s GLU 121 CO 0.80 0.67 -0.06 0.71 0.02 0.00 0.00 175.26 177.40 3d4b s TYR 122 N -0.80 0.77 0.09 1.61 2.02 -0.64 -0.67 117.35 119.73 3d4b s TYR 122 Ca 0.12 -0.84 -0.19 0.00 -0.37 0.00 0.00 57.07 55.79 3d4b s TYR 122 Cb -0.11 -0.46 0.04 0.00 -0.40 0.00 0.00 41.96 41.03 3d4b s TYR 122 CO 0.02 -0.17 0.45 1.52 -1.57 0.00 0.00 175.55 175.80 3d4b s TYR 123 N -3.16 -0.30 -0.08 2.71 -0.85 -0.11 -1.30 117.35 114.26 3d4b s TYR 123 Ca 0.06 0.14 -0.30 0.00 -0.52 0.00 0.00 57.07 56.46 3d4b s TYR 123 Cb 0.02 0.30 -0.05 0.00 0.38 0.00 0.00 41.96 42.61 3d4b s TYR 123 CO -0.04 -0.67 1.59 0.00 -1.52 0.00 0.00 175.55 174.90 3d4b h VAL 125 N 5.58 0.59 0.00 0.00 3.04 -1.50 0.13 116.25 124.09 3d4b h VAL 125 Ca -0.37 -0.06 0.00 0.00 -1.01 0.00 0.00 66.70 65.26 3d4b h VAL 125 Cb 1.16 0.40 0.00 0.00 -2.01 0.00 0.00 31.29 30.84 3d4b h VAL 125 CO 0.96 0.03 -0.24 -0.09 -1.01 0.00 0.00 177.57 177.22 3d4b h ARG 126 N 0.17 0.00 -0.00 4.17 1.12 -1.91 -3.42 114.38 114.51 3d4b h ARG 126 Ca 0.46 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 59.33 3d4b h ARG 126 Cb 1.52 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 31.48 3d4b h ARG 126 CO -0.09 0.00 -0.58 0.00 -3.11 0.00 0.00 179.97 176.19 3d4b n GLU 128 N -1.24 -0.70 -1.72 0.00 1.02 0.45 -4.96 120.64 113.50 3d4b n GLU 128 Ca 0.07 0.66 -0.43 0.00 -0.02 0.00 0.00 57.16 57.44 3d4b n GLU 128 Cb 0.35 -4.48 -0.02 0.00 -0.02 0.00 0.00 31.44 27.26 3d4b n GLU 128 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 3d4b n LYS 129 N -2.33 2.51 -3.23 3.49 4.81 -1.26 -4.53 118.16 117.62 3d4b n LYS 129 Ca -0.07 0.90 -0.39 0.00 -0.87 0.00 0.00 58.31 57.88 3d4b n LYS 129 Cb 0.28 -2.66 -0.06 0.00 0.02 0.00 0.00 35.03 32.61 3d4b n LYS 129 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 3d4b s LYS 130 N -0.06 4.27 0.12 1.64 1.02 -1.26 -0.52 119.74 124.95 3d4b s LYS 130 Ca 0.68 0.77 0.05 0.00 0.02 0.00 0.00 55.97 57.49 3d4b s LYS 130 Cb -0.55 -3.27 -0.04 0.00 -0.52 0.00 0.00 37.83 33.45 3d4b s LYS 130 CO 0.45 0.55 -0.11 0.71 -0.92 0.00 0.00 175.35 176.03 3d4b s TYR 131 N -0.83 1.22 0.42 3.18 2.02 -0.42 -4.97 117.35 117.97 3d4b s TYR 131 Ca 0.30 -0.67 0.05 0.00 -0.37 0.00 0.00 57.07 56.38 3d4b s TYR 131 Cb -0.19 -0.64 0.01 0.00 -0.40 0.00 0.00 41.96 40.73 3d4b s TYR 131 CO 0.19 0.07 0.58 0.95 -1.57 0.00 0.00 175.55 175.77 3d4b s THR 132 N -2.73 3.42 0.30 -0.71 -4.23 -1.26 -1.62 115.64 108.81 3d4b s THR 132 Ca 0.11 -0.88 -0.01 0.00 -1.18 0.00 0.00 61.69 59.72 3d4b s THR 132 Cb -0.01 -3.19 0.27 0.00 1.34 0.00 0.00 72.50 70.90 3d4b s THR 132 CO 0.01 -0.09 1.95 1.62 -0.54 0.00 0.00 174.62 177.57 3d4b h VAL 133 N 0.60 1.17 -0.03 2.29 3.04 -1.69 -2.03 116.25 119.60 3d4b h VAL 133 Ca -0.43 -0.38 -0.16 0.00 -1.01 0.00 0.00 66.70 64.72 3d4b h VAL 133 Cb 1.27 -0.02 -0.01 0.00 -2.01 0.00 0.00 31.29 30.52 3d4b h VAL 133 CO 0.50 0.20 -0.71 -0.33 -1.01 0.00 0.00 177.57 176.22 3d4b h GLU 134 N 1.10 0.18 -0.43 4.17 5.08 -1.94 -0.93 114.58 121.81 3d4b h GLU 134 Ca 0.33 -0.15 0.07 0.00 -1.00 0.00 0.00 59.36 58.61 3d4b h GLU 134 Cb -0.04 0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.18 3d4b h GLU 134 CO -0.09 0.81 0.07 -0.44 -1.00 0.00 0.00 179.01 178.37 3d4b h ASP 135 N 0.12 -0.03 -0.59 1.42 3.32 -1.78 -0.75 116.42 118.14 3d4b h ASP 135 Ca -0.02 0.08 -0.10 0.00 0.02 0.00 0.00 57.03 57.01 3d4b h ASP 135 Cb 1.26 0.11 -0.02 0.00 0.22 0.00 0.00 39.33 40.90 3d4b h ASP 135 CO 0.11 0.02 -0.04 0.58 -1.72 0.00 0.00 179.24 178.19 3d4b h VAL 136 N 0.20 1.27 -0.69 -1.35 2.07 -1.15 -1.01 116.25 115.58 3d4b h VAL 136 Ca 0.21 -1.20 -0.04 0.00 0.82 0.00 0.00 66.70 66.49 3d4b h VAL 136 Cb 0.27 0.86 -0.03 0.00 -1.52 0.00 0.00 31.29 30.87 3d4b h VAL 136 CO -0.29 0.43 0.27 0.40 0.02 0.00 0.00 177.57 178.40 3d4b h ILE 137 N 0.96 1.25 -0.39 4.57 2.04 -0.88 -0.62 117.51 124.43 3d4b h ILE 137 Ca 0.16 -0.78 -0.01 0.00 1.00 0.00 0.00 64.86 65.23 3d4b h ILE 137 Cb 0.61 0.46 -0.02 0.00 -0.74 0.00 0.00 36.82 37.12 3d4b h ILE 137 CO 0.04 0.31 0.20 0.11 0.00 0.00 0.00 178.15 178.81 3d4b h LYS 138 N 0.99 0.55 -0.86 2.37 1.57 -0.85 -2.57 116.57 117.75 3d4b h LYS 138 Ca 0.23 -0.07 0.06 0.00 -1.87 0.00 0.00 60.65 59.00 3d4b h LYS 138 Cb 0.22 -0.10 -0.06 0.00 0.08 0.00 0.00 32.23 32.36 3d4b h LYS 138 CO -0.02 0.46 0.54 0.87 -0.57 0.00 0.00 179.45 180.73 3d4b h LYS 139 N 0.49 0.95 0.00 3.15 1.57 -0.81 -2.53 116.57 119.39 3d4b h LYS 139 Ca 0.14 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 3d4b h LYS 139 Cb 0.08 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.17 3d4b h LYS 139 CO -0.02 0.63 0.00 1.28 -0.57 0.00 0.00 179.45 180.77 3d4b n LEU 140 N -4.61 0.00 0.11 2.94 4.77 -0.27 -2.15 117.00 117.78 3d4b n LEU 140 Ca 0.12 0.30 -0.04 0.00 -0.03 0.00 0.00 56.01 56.37 3d4b n LEU 140 Cb 0.17 -0.30 0.06 0.00 -2.33 0.00 0.00 43.42 41.02 3d4b n LEU 140 CO 0.31 -0.17 0.35 -0.33 -1.33 0.00 0.00 177.39 176.22 3d4b h GLU 141 N 0.00 0.02 0.00 3.23 5.08 -1.39 -3.33 114.58 118.19 3d4b h GLU 141 Ca 0.00 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 3d4b h GLU 141 Cb 0.13 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.39 3d4b h GLU 141 CO 0.00 0.78 -0.60 -1.13 -1.00 0.00 0.00 179.01 177.06 3d4b n SER 142 N -3.64 0.69 -3.81 1.42 3.41 -0.91 -5.05 113.62 105.73 3d4b n SER 142 Ca -0.01 -0.68 -0.12 0.00 -0.26 0.00 0.00 58.87 57.80 3d4b n SER 142 Cb 0.74 1.05 -0.09 0.00 -0.26 0.00 0.00 64.21 65.65 3d4b n SER 142 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3d4b s SER 143 N -2.13 -0.07 0.44 4.04 0.15 -1.00 -5.04 113.70 110.08 3d4b s SER 143 Ca 0.03 -0.12 0.28 0.00 0.70 0.00 0.00 55.95 56.85 3d4b s SER 143 Cb 0.08 0.28 0.99 0.00 -1.71 0.00 0.00 66.02 65.66 3d4b s SER 143 CO 0.44 -0.46 1.82 -2.24 1.20 0.00 0.00 173.24 174.00 3d4b h ASP 144 N 3.84 0.00 -4.41 5.45 3.04 -1.88 -3.38 116.42 119.08 3d4b h ASP 144 Ca -0.31 0.00 -0.27 0.00 -3.24 0.00 0.00 57.03 53.21 3d4b h ASP 144 Cb 1.19 0.00 -0.24 0.00 -1.04 0.00 0.00 39.33 39.23 3d4b h ASP 144 CO 0.42 0.00 -0.74 0.68 -2.04 0.00 0.00 179.24 177.57 3d4b s VAL 145 N -3.43 0.40 0.06 4.15 -7.23 -1.26 -4.43 120.40 108.65 3d4b s VAL 145 Ca 0.04 -0.68 -0.29 0.00 -1.81 0.00 0.00 61.98 59.24 3d4b s VAL 145 Cb 0.08 -0.43 -0.05 0.00 0.56 0.00 0.00 36.38 36.55 3d4b s VAL 145 CO 0.55 -0.20 0.92 -2.16 -0.31 0.00 0.00 175.10 173.91 3d4b s PRO 146 N -0.94 4.62 -0.00 4.82 0.04 -1.26 -4.84 135.00 137.43 3d4b s PRO 146 Ca -0.06 1.36 0.07 0.00 0.04 0.00 0.00 61.00 62.41 3d4b s PRO 146 Cb -0.06 -3.40 -0.02 0.00 0.04 0.00 0.00 34.50 31.06 3d4b s PRO 146 CO -0.00 0.14 -0.22 -0.51 0.04 0.00 0.00 177.00 176.46 3d4b s LEU 147 N 0.31 2.07 0.34 -3.56 2.01 -1.26 -1.42 118.68 117.18 3d4b s LEU 147 Ca 0.47 -0.42 -0.29 0.00 0.01 0.00 0.00 54.13 53.89 3d4b s LEU 147 Cb -0.22 -1.09 -0.11 0.00 0.01 0.00 0.00 46.19 44.77 3d4b s LEU 147 CO 0.28 0.25 1.54 0.00 1.01 0.00 0.00 176.35 179.43 3d4b h ASP 149 N 3.76 0.00 0.24 0.00 3.32 -1.96 -1.61 116.42 120.17 3d4b h ASP 149 Ca -0.49 0.00 -0.34 0.00 0.02 0.00 0.00 57.03 56.22 3d4b h ASP 149 Cb 1.23 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.75 3d4b h ASP 149 CO 0.71 0.20 -1.93 0.47 -1.72 0.00 0.00 179.24 176.96 3d4b n ASP 150 N -3.32 1.64 0.00 6.45 9.92 -1.26 -4.68 116.55 125.29 3d4b n ASP 150 Ca 0.01 0.26 0.00 0.00 -0.53 0.00 0.00 54.79 54.53 3d4b n ASP 150 Cb 0.44 -0.53 0.00 0.00 -0.64 0.00 0.00 41.12 40.39 3d4b n ASP 150 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3d4b n ASN 152 N -0.03 -1.49 -4.82 0.00 5.15 -0.61 -4.96 115.26 108.50 3d4b n ASN 152 Ca 0.00 0.00 -0.29 0.00 -0.60 0.00 0.00 54.58 53.69 3d4b n ASN 152 Cb 0.30 -1.72 0.12 0.00 -0.53 0.00 0.00 39.78 37.95 3d4b n ASN 152 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 3d4b s SER 153 N -2.28 3.86 0.28 1.20 0.01 -1.26 -4.46 113.70 111.05 3d4b s SER 153 Ca 0.00 0.91 -0.29 0.00 1.31 0.00 0.00 55.95 57.88 3d4b s SER 153 Cb 0.00 -1.47 -0.10 0.00 0.21 0.00 0.00 66.02 64.66 3d4b s SER 153 CO 0.00 -2.32 1.38 -0.22 0.41 0.00 0.00 173.24 172.49 3d4b s LEU 154 N -5.88 4.40 -0.12 2.44 2.96 -1.26 -0.68 118.68 120.54 3d4b s LEU 154 Ca 0.63 2.66 -0.12 0.00 -0.22 0.00 0.00 54.13 57.09 3d4b s LEU 154 Cb -0.14 -3.63 -0.05 0.00 0.50 0.00 0.00 46.19 42.87 3d4b s LEU 154 CO 0.52 -0.63 0.26 -0.63 -1.32 0.00 0.00 176.35 174.55 3d4b s ILE 155 N -0.46 5.31 0.12 6.68 1.01 -0.50 -1.24 121.20 132.12 3d4b s ILE 155 Ca 0.55 0.49 0.07 0.00 0.00 0.00 0.00 60.65 61.76 3d4b s ILE 155 Cb -0.41 -3.57 -0.04 0.00 0.01 0.00 0.00 42.46 38.45 3d4b s ILE 155 CO 0.47 0.49 -0.17 0.00 0.00 0.00 0.00 174.94 175.73 3d4b s ARG 156 N -0.21 1.09 0.56 2.79 1.70 -0.16 -4.72 118.95 120.00 3d4b s ARG 156 Ca 0.17 -1.23 -0.18 0.00 -0.47 0.00 0.00 55.73 54.01 3d4b s ARG 156 Cb -0.13 -1.14 -0.05 0.00 -0.57 0.00 0.00 34.95 33.06 3d4b s ARG 156 CO 0.05 0.24 1.11 -1.25 -1.08 0.00 0.00 175.30 174.37 3d4b s PRO 157 N -2.38 3.30 -0.95 3.89 0.04 -1.26 -0.93 135.00 136.70 3d4b s PRO 157 Ca 0.09 1.51 -0.06 0.00 0.04 0.00 0.00 61.00 62.57 3d4b s PRO 157 Cb -0.07 -2.01 -0.02 0.00 0.04 0.00 0.00 34.50 32.44 3d4b s PRO 157 CO 0.04 -0.87 2.86 -1.71 0.04 0.00 0.00 177.00 177.35 3d4b n ASN 158 N -1.53 7.34 -4.71 6.66 5.15 0.16 -4.84 115.26 123.49 3d4b n ASN 158 Ca 0.11 -2.89 -0.23 0.00 -0.60 0.00 0.00 54.58 50.97 3d4b n ASN 158 Cb 0.51 -1.39 -0.07 0.00 -0.53 0.00 0.00 39.78 38.31 3d4b n ASN 158 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 3d4b s ILE 159 N -0.18 3.09 -0.33 -1.44 -4.36 -1.26 -1.55 121.20 115.17 3d4b s ILE 159 Ca 0.62 -1.75 -0.18 0.00 -0.26 0.00 0.00 60.65 59.07 3d4b s ILE 159 Cb 0.26 -2.95 -0.01 0.00 1.25 0.00 0.00 42.46 41.01 3d4b s ILE 159 CO -0.10 -0.22 0.51 -0.69 0.24 0.00 0.00 174.94 174.68 3d4b s VAL 160 N -2.41 5.03 0.50 8.37 1.01 -0.32 -4.90 120.40 127.67 3d4b s VAL 160 Ca 0.36 0.44 -0.16 0.00 0.00 0.00 0.00 61.98 62.62 3d4b s VAL 160 Cb -0.03 -3.93 -0.08 0.00 0.00 0.00 0.00 36.38 32.34 3d4b s VAL 160 CO 0.22 -0.16 0.96 -0.36 0.00 0.00 0.00 175.10 175.76 3d4b s PHE 161 N 2.38 3.45 0.22 5.22 0.08 -1.26 -4.95 117.98 123.12 3d4b s PHE 161 Ca 0.19 1.42 -0.32 0.00 0.12 0.00 0.00 56.93 58.35 3d4b s PHE 161 Cb -0.15 -2.75 -0.14 0.00 -0.57 0.00 0.00 43.02 39.40 3d4b s PHE 161 CO 0.13 -0.33 1.30 1.19 -0.10 0.00 0.00 175.22 177.41 3d4b n PHE 162 N -1.52 1.82 -0.07 0.36 3.72 -0.02 -1.46 117.46 120.29 3d4b n PHE 162 Ca 0.06 0.53 0.00 0.00 -0.05 0.00 0.00 57.45 57.99 3d4b n PHE 162 Cb 0.54 -2.39 0.00 0.00 -0.94 0.00 0.00 39.48 36.69 3d4b n PHE 162 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3d4b n GLY 163 N 2.06 0.78 3.92 1.37 0.00 -1.26 -1.70 105.19 110.37 3d4b n GLY 163 Ca 0.13 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.86 3d4b n GLY 163 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3d4b s GLU 164 N -0.72 3.53 0.35 1.61 2.02 -0.54 -5.00 118.70 119.95 3d4b s GLU 164 Ca 0.00 -0.32 -0.26 0.00 0.02 0.00 0.00 54.97 54.41 3d4b s GLU 164 Cb 0.00 -2.87 -0.09 0.00 0.10 0.00 0.00 34.13 31.27 3d4b s GLU 164 CO 0.00 0.44 1.08 -0.80 0.02 0.00 0.00 175.26 176.00 3d4b s ASN 165 N -2.98 6.95 0.71 -0.19 -0.87 -1.26 -4.86 114.94 112.44 3d4b s ASN 165 Ca 0.38 2.17 -0.12 0.00 -1.57 0.00 0.00 52.86 53.72 3d4b s ASN 165 Cb -0.11 -2.61 0.02 0.00 -0.02 0.00 0.00 41.25 38.53 3d4b s ASN 165 CO 0.28 -0.36 1.09 -0.76 -2.57 0.00 0.00 177.10 174.78 3d4b s LEU 166 N -2.11 3.18 0.23 0.60 1.02 -1.26 -4.97 118.68 115.36 3d4b s LEU 166 Ca 0.52 1.82 -0.31 0.00 0.02 0.00 0.00 54.13 56.18 3d4b s LEU 166 Cb -0.27 -4.52 -0.11 0.00 0.02 0.00 0.00 46.19 41.30 3d4b s LEU 166 CO 0.34 -1.73 1.65 -2.16 0.02 0.00 0.00 176.35 174.47 3d4b s PRO 167 N -4.65 4.14 0.10 1.29 0.04 -1.26 -4.92 135.00 129.74 3d4b s PRO 167 Ca 0.62 2.55 -0.18 0.00 0.04 0.00 0.00 61.00 64.03 3d4b s PRO 167 Cb -0.17 -3.07 -0.06 0.00 0.04 0.00 0.00 34.50 31.23 3d4b s PRO 167 CO 0.50 -0.68 1.60 -0.56 0.04 0.00 0.00 177.00 177.90 3d4b h GLN 168 N 6.20 0.43 -0.26 4.56 -0.00 -1.99 -2.15 115.11 121.90 3d4b h GLN 168 Ca -0.44 -0.10 -0.03 0.00 -0.00 0.00 0.00 58.65 58.08 3d4b h GLN 168 Cb 1.21 -0.06 -0.01 0.00 -0.00 0.00 0.00 27.48 28.62 3d4b h GLN 168 CO 0.90 0.51 0.04 -0.44 -0.00 0.00 0.00 178.83 179.84 3d4b h ASP 169 N 0.27 0.42 -0.22 0.06 3.45 -1.99 -0.72 116.42 117.68 3d4b h ASP 169 Ca 0.09 -0.26 -0.01 0.00 0.43 0.00 0.00 57.03 57.27 3d4b h ASP 169 Cb 0.27 -0.11 -0.01 0.00 -0.56 0.00 0.00 39.33 38.92 3d4b h ASP 169 CO -0.00 0.57 0.10 0.00 -1.57 0.00 0.00 179.24 178.34 3d4b h ALA 170 N 0.86 0.29 -0.54 3.45 0.00 -1.92 -0.86 119.26 120.52 3d4b h ALA 170 Ca 0.08 -0.10 -0.11 0.00 0.00 0.00 0.00 54.91 54.79 3d4b h ALA 170 Cb 0.34 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 3d4b h ALA 170 CO 0.01 -0.14 -0.08 1.25 0.00 0.00 0.00 179.25 180.28 3d4b h LEU 171 N 0.22 0.99 -0.83 0.00 5.85 -1.35 0.37 115.31 120.57 3d4b h LEU 171 Ca 0.08 -0.31 -0.01 0.00 0.84 0.00 0.00 57.88 58.47 3d4b h LEU 171 Cb 0.14 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 40.86 3d4b h LEU 171 CO -0.01 1.09 0.46 0.03 -0.34 0.00 0.00 178.44 179.68 3d4b h ARG 172 N 0.90 1.15 -0.47 1.25 -0.00 -0.98 -0.10 114.38 116.13 3d4b h ARG 172 Ca 0.15 -0.13 -0.13 0.00 -0.50 0.00 0.00 59.98 59.37 3d4b h ARG 172 Cb 0.64 -0.23 -0.01 0.00 0.00 0.00 0.00 29.97 30.37 3d4b h ARG 172 CO 0.04 0.84 -0.21 1.49 0.00 0.00 0.00 179.97 182.13 3d4b h GLU 173 N 1.15 0.98 -0.66 0.04 4.81 -0.85 -0.88 114.58 119.16 3d4b h GLU 173 Ca 0.29 -0.42 -0.02 0.00 -0.13 0.00 0.00 59.36 59.08 3d4b h GLU 173 Cb 0.02 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.33 3d4b h GLU 173 CO -0.05 1.09 0.32 0.00 -0.73 0.00 0.00 179.01 179.64 3d4b h ALA 174 N 0.86 0.85 -0.45 2.92 0.00 -0.59 -0.24 119.26 122.61 3d4b h ALA 174 Ca 0.11 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 3d4b h ALA 174 Cb 0.79 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 3d4b h ALA 174 CO 0.07 0.42 0.22 0.82 0.00 0.00 0.00 179.25 180.77 3d4b h ILE 175 N 0.92 1.18 -0.16 0.00 2.04 -0.93 -0.68 117.51 119.89 3d4b h ILE 175 Ca 0.23 -0.52 -0.00 0.00 1.00 0.00 0.00 64.86 65.56 3d4b h ILE 175 Cb 0.12 0.70 -0.01 0.00 -0.74 0.00 0.00 36.82 36.89 3d4b h ILE 175 CO -0.03 0.20 0.09 1.23 0.00 0.00 0.00 178.15 179.65 3d4b h GLY 176 N 0.59 0.23 0.97 5.37 0.00 -0.94 -0.31 103.07 108.97 3d4b h GLY 176 Ca 0.16 -0.09 -0.08 0.00 0.00 0.00 0.00 47.33 47.31 3d4b h GLY 176 CO -0.02 0.09 -0.06 1.41 0.00 0.00 0.00 176.54 177.96 3d4b h LEU 177 N 0.18 0.76 -1.09 3.11 3.38 -0.96 -2.62 115.31 118.07 3d4b h LEU 177 Ca 0.06 -0.34 -0.08 0.00 0.09 0.00 0.00 57.88 57.60 3d4b h LEU 177 Cb 0.03 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 3d4b h LEU 177 CO -0.01 0.93 -0.22 0.28 0.09 0.00 0.00 178.44 179.51 3d4b h SER 178 N 0.59 0.37 0.85 -0.43 0.02 -0.92 -1.21 113.55 112.82 3d4b h SER 178 Ca 0.11 -0.11 -0.16 0.00 -0.84 0.00 0.00 61.79 60.78 3d4b h SER 178 Cb 0.57 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 62.99 3d4b h SER 178 CO 0.03 0.60 -0.78 0.77 -1.14 0.00 0.00 176.83 176.32 3d4b h SER 179 N 0.34 0.00 0.68 3.07 4.64 -0.97 -3.22 113.55 118.10 3d4b h SER 179 Ca 0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 3d4b h SER 179 Cb 0.58 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.67 3d4b h SER 179 CO 0.04 0.78 -0.67 0.54 -0.87 0.00 0.00 176.83 176.65 3d4b n ARG 180 N -3.55 0.21 -2.37 4.77 1.74 -0.99 -4.81 116.66 111.66 3d4b n ARG 180 Ca -0.00 0.05 -0.40 0.00 -0.77 0.00 0.00 57.85 56.72 3d4b n ARG 180 Cb 0.77 -1.62 -0.04 0.00 -1.02 0.00 0.00 32.46 30.55 3d4b n ARG 180 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3d4b s ALA 181 N -3.13 3.44 -0.51 7.54 0.00 -0.49 -4.85 121.76 123.77 3d4b s ALA 181 Ca 0.07 1.00 0.24 0.00 0.00 0.00 0.00 51.96 53.27 3d4b s ALA 181 Cb 0.15 -3.38 0.34 0.00 0.00 0.00 0.00 23.12 20.23 3d4b s ALA 181 CO 0.73 -0.31 1.40 0.66 0.00 0.00 0.00 175.76 178.24 3d4b h SER 182 N 3.88 0.00 -3.49 0.00 4.64 -0.98 -3.37 113.55 114.24 3d4b h SER 182 Ca -0.47 -0.07 -0.28 0.00 -0.47 0.00 0.00 61.79 60.50 3d4b h SER 182 Cb 1.22 0.00 -0.33 0.00 -0.31 0.00 0.00 62.40 62.97 3d4b h SER 182 CO 0.67 0.03 -0.68 -0.22 -0.87 0.00 0.00 176.83 175.77 3d4b s LEU 183 N -5.04 0.94 -0.15 5.97 2.96 -0.95 -0.46 118.68 121.95 3d4b s LEU 183 Ca 0.06 0.13 -0.01 0.00 -0.22 0.00 0.00 54.13 54.09 3d4b s LEU 183 Cb 0.10 0.08 -0.01 0.00 0.50 0.00 0.00 46.19 46.86 3d4b s LEU 183 CO 0.70 -0.14 -0.11 -0.32 -1.32 0.00 0.00 176.35 175.16 3d4b s MET 184 N 1.12 3.37 -0.27 1.98 -2.45 -0.30 -1.52 119.30 121.24 3d4b s MET 184 Ca -0.09 -0.68 -0.03 0.00 -1.25 0.00 0.00 55.69 53.64 3d4b s MET 184 Cb -0.12 -2.71 0.02 0.00 1.25 0.00 0.00 34.83 33.27 3d4b s MET 184 CO -0.04 0.11 -0.01 0.42 1.05 0.00 0.00 175.02 176.55 3d4b s ILE 185 N 0.62 3.23 -0.12 10.11 1.01 -0.29 -0.73 121.20 135.02 3d4b s ILE 185 Ca -0.07 -0.96 -0.18 0.00 0.00 0.00 0.00 60.65 59.44 3d4b s ILE 185 Cb -0.15 -2.67 -0.04 0.00 0.01 0.00 0.00 42.46 39.60 3d4b s ILE 185 CO 0.03 0.13 0.47 -0.69 0.00 0.00 0.00 174.94 174.88 3d4b s VAL 186 N 1.37 5.19 -0.14 2.92 1.01 0.27 -0.91 120.40 130.10 3d4b s VAL 186 Ca 0.00 0.95 0.00 0.00 0.00 0.00 0.00 61.98 62.93 3d4b s VAL 186 Cb -0.17 -3.81 0.02 0.00 0.00 0.00 0.00 36.38 32.42 3d4b s VAL 186 CO -0.02 0.32 -0.12 -0.76 0.00 0.00 0.00 175.10 174.52 3d4b s LEU 187 N 0.64 1.60 -0.94 3.92 1.02 -0.38 -0.38 118.68 124.15 3d4b s LEU 187 Ca 0.26 -0.47 -0.06 0.00 0.02 0.00 0.00 54.13 53.88 3d4b s LEU 187 Cb -0.15 -1.10 0.01 0.00 0.02 0.00 0.00 46.19 44.97 3d4b s LEU 187 CO 0.10 -0.08 0.77 0.61 0.02 0.00 0.00 176.35 177.78 3d4b n GLY 188 N 4.81 -0.08 3.13 -3.19 0.00 0.31 -2.24 105.19 107.93 3d4b n GLY 188 Ca -0.16 -0.05 -0.23 0.00 0.00 0.00 0.00 46.02 45.58 3d4b n GLY 188 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3d4b s SER 189 N -3.18 1.79 0.00 1.61 0.15 -1.26 -0.44 113.70 112.36 3d4b s SER 189 Ca 0.38 -0.30 0.29 0.00 0.70 0.00 0.00 55.95 57.02 3d4b s SER 189 Cb -0.17 -0.19 1.20 0.00 -1.71 0.00 0.00 66.02 65.16 3d4b s SER 189 CO 0.47 0.17 1.85 -1.54 1.20 0.00 0.00 173.24 175.40 3d4b n SER 190 N 2.61 0.42 -3.52 5.45 3.41 -1.26 -4.94 113.62 115.80 3d4b n SER 190 Ca -0.15 -0.48 -0.20 0.00 -0.26 0.00 0.00 58.87 57.78 3d4b n SER 190 Cb 0.55 -0.09 0.08 0.00 -0.26 0.00 0.00 64.21 64.49 3d4b n SER 190 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3d4b n LEU 191 N -1.03 -3.72 -0.03 1.04 4.77 -1.26 -4.18 117.00 112.59 3d4b n LEU 191 Ca 0.14 -0.60 0.00 0.00 -0.03 0.00 0.00 56.01 55.52 3d4b n LEU 191 Cb 0.28 -3.06 0.00 0.00 -2.33 0.00 0.00 43.42 38.31 3d4b n LEU 191 CO 0.24 0.49 0.27 1.33 -1.33 0.00 0.00 177.39 178.39 3d4b n VAL 192 N -4.50 0.02 -3.65 4.08 0.24 -1.26 -4.67 118.33 108.59 3d4b n VAL 192 Ca -0.16 -0.51 -0.37 0.00 -2.04 0.00 0.00 64.34 61.26 3d4b n VAL 192 Cb 0.62 1.01 -0.10 0.00 -1.47 0.00 0.00 33.84 33.90 3d4b n VAL 192 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 3d4b s VAL 193 N -0.09 5.25 0.13 3.34 1.01 -1.26 -5.00 120.40 123.78 3d4b s VAL 193 Ca 0.01 0.15 -0.03 0.00 0.00 0.00 0.00 61.98 62.11 3d4b s VAL 193 Cb 0.01 -3.47 -0.05 0.00 0.00 0.00 0.00 36.38 32.87 3d4b s VAL 193 CO 0.01 0.31 0.33 -0.31 0.00 0.00 0.00 175.10 175.44 3d4b s TYR 194 N 1.38 3.49 -1.74 5.22 1.51 -1.26 -1.09 117.35 124.86 3d4b s TYR 194 Ca 0.07 0.43 0.29 0.00 -1.01 0.00 0.00 57.07 56.85 3d4b s TYR 194 Cb -0.15 -1.91 1.25 0.00 -0.11 0.00 0.00 41.96 41.04 3d4b s TYR 194 CO 0.07 0.47 1.87 -0.35 -1.11 0.00 0.00 175.55 176.50 3d4b n PRO 195 N 0.01 0.78 -0.09 -1.71 -0.04 -1.26 -4.87 135.00 127.82 3d4b n PRO 195 Ca -0.03 -0.28 0.15 0.00 -0.04 0.00 0.00 63.50 63.30 3d4b n PRO 195 Cb 0.52 -1.49 0.55 0.00 -0.04 0.00 0.00 33.50 33.03 3d4b n PRO 195 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3d4b h ALA 196 N 3.70 2.17 0.00 0.55 0.00 -1.97 -1.18 119.26 122.53 3d4b h ALA 196 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3d4b h ALA 196 Cb 0.35 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3d4b h ALA 196 CO 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 179.25 178.91 3d4b h ALA 197 N 1.69 1.00 -0.00 0.00 0.00 -1.44 -1.86 119.26 118.66 3d4b h ALA 197 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.21 3d4b h ALA 197 Cb 0.77 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.56 3d4b h ALA 197 CO -0.07 0.00 -0.35 0.39 0.00 0.00 0.00 179.25 179.22 3d4b n GLU 198 N -2.89 0.25 -0.20 0.00 1.02 -0.45 -4.19 120.64 114.18 3d4b n GLU 198 Ca 0.00 -0.13 -0.06 0.00 -0.02 0.00 0.00 57.16 56.95 3d4b n GLU 198 Cb 0.23 -1.50 0.03 0.00 -0.02 0.00 0.00 31.44 30.19 3d4b n GLU 198 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 3d4b h LEU 199 N 0.32 0.67 -1.44 -4.62 3.38 -1.42 -1.19 115.31 111.02 3d4b h LEU 199 Ca 0.00 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 3d4b h LEU 199 Cb 0.49 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 3d4b h LEU 199 CO 0.00 0.49 0.27 -0.65 0.09 0.00 0.00 178.44 178.64 3d4b h PRO 200 N 0.79 0.64 -0.46 1.13 0.11 -1.78 -2.08 132.00 130.36 3d4b h PRO 200 Ca 0.21 -0.06 -0.04 0.00 0.11 0.00 0.00 66.00 66.22 3d4b h PRO 200 Cb -0.08 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 30.87 3d4b h PRO 200 CO -0.05 0.47 0.12 1.25 -0.21 0.00 0.00 178.00 179.59 3d4b h LEU 201 N 0.66 0.69 -0.69 2.35 5.85 -1.65 -1.77 115.31 120.73 3d4b h LEU 201 Ca 0.17 -0.22 0.11 0.00 0.84 0.00 0.00 57.88 58.77 3d4b h LEU 201 Cb 0.01 -0.18 -0.08 0.00 0.37 0.00 0.00 40.66 40.78 3d4b h LEU 201 CO -0.03 0.73 0.31 0.40 -0.34 0.00 0.00 178.44 179.51 3d4b h ILE 202 N 0.61 0.77 -0.11 4.05 2.04 -0.90 0.62 117.51 124.60 3d4b h ILE 202 Ca 0.14 -0.17 -0.01 0.00 1.00 0.00 0.00 64.86 65.82 3d4b h ILE 202 Cb 0.31 0.22 -0.00 0.00 -0.74 0.00 0.00 36.82 36.61 3d4b h ILE 202 CO -0.00 0.09 0.02 0.74 0.00 0.00 0.00 178.15 179.01 3d4b h THR 203 N 0.51 1.20 -0.34 -0.27 2.02 -1.00 -2.08 112.91 112.94 3d4b h THR 203 Ca 0.36 -0.63 -0.04 0.00 0.77 0.00 0.00 66.41 66.86 3d4b h THR 203 Cb 0.44 1.42 -0.01 0.00 -1.74 0.00 0.00 68.15 68.26 3d4b h THR 203 CO -0.32 0.18 0.05 0.58 0.37 0.00 0.00 175.52 176.39 3d4b h VAL 204 N -0.04 1.24 0.00 3.16 2.07 -1.05 0.11 116.25 121.74 3d4b h VAL 204 Ca 0.03 -0.84 -0.01 0.00 0.82 0.00 0.00 66.70 66.70 3d4b h VAL 204 Cb 0.26 1.12 -0.00 0.00 -1.52 0.00 0.00 31.29 31.16 3d4b h VAL 204 CO 0.00 0.28 -0.05 0.03 0.02 0.00 0.00 177.57 177.85 3d4b h ARG 205 N 0.40 0.00 -0.00 1.57 2.47 -0.87 -1.49 114.38 116.46 3d4b h ARG 205 Ca 0.10 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.82 3d4b h ARG 205 Cb 0.36 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.68 3d4b h ARG 205 CO 0.01 0.05 -0.08 0.43 0.56 0.00 0.00 179.97 180.94 3d4b n SER 206 N -4.39 0.11 0.00 7.04 7.64 -0.79 -4.92 113.62 118.32 3d4b n SER 206 Ca -0.03 0.22 0.00 0.00 1.01 0.00 0.00 58.87 60.07 3d4b n SER 206 Cb 0.13 -0.33 0.00 0.00 -1.01 0.00 0.00 64.21 63.00 3d4b n SER 206 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3d4b n GLY 207 N 1.45 0.89 3.92 0.23 0.00 -0.56 -5.06 105.19 106.06 3d4b n GLY 207 Ca 0.08 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.84 3d4b n GLY 207 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3d4b s GLY 208 N -0.63 1.61 0.20 -0.02 0.00 0.00 -4.99 107.32 103.49 3d4b s GLY 208 Ca 0.00 -0.70 0.03 0.00 0.00 0.00 0.00 44.72 44.05 3d4b s GLY 208 CO 0.00 -0.41 0.34 0.54 0.00 0.00 0.00 173.10 173.57 3d4b s LYS 209 N -5.01 3.45 -0.08 2.90 1.02 0.39 -4.11 119.74 118.29 3d4b s LYS 209 Ca 0.54 -0.65 0.02 0.00 0.02 0.00 0.00 55.97 55.91 3d4b s LYS 209 Cb -0.11 -2.91 0.01 0.00 -0.52 0.00 0.00 37.83 34.30 3d4b s LYS 209 CO 0.45 0.46 -0.15 -1.17 -0.92 0.00 0.00 175.35 174.02 3d4b s LEU 210 N -3.63 1.72 -0.08 3.17 2.96 -1.26 -1.14 118.68 120.41 3d4b s LEU 210 Ca 0.35 -0.37 0.04 0.00 -0.22 0.00 0.00 54.13 53.93 3d4b s LEU 210 Cb -0.10 -0.98 -0.01 0.00 0.50 0.00 0.00 46.19 45.60 3d4b s LEU 210 CO 0.29 0.05 -0.21 -0.69 -1.32 0.00 0.00 176.35 174.47 3d4b s VAL 211 N 0.70 2.39 -0.11 1.68 1.01 0.09 -0.40 120.40 125.77 3d4b s VAL 211 Ca -0.13 -0.92 0.04 0.00 0.00 0.00 0.00 61.98 60.96 3d4b s VAL 211 Cb -0.16 -1.92 0.00 0.00 0.00 0.00 0.00 36.38 34.30 3d4b s VAL 211 CO 0.03 0.56 -0.23 -0.63 0.00 0.00 0.00 175.10 174.84 3d4b s ILE 212 N 0.02 1.98 -0.28 2.22 1.01 -0.48 -0.57 121.20 125.12 3d4b s ILE 212 Ca -0.08 -0.97 -0.01 0.00 0.00 0.00 0.00 60.65 59.60 3d4b s ILE 212 Cb -0.15 -1.73 0.04 0.00 0.01 0.00 0.00 42.46 40.63 3d4b s ILE 212 CO 0.05 0.54 -0.04 -0.69 0.00 0.00 0.00 174.94 174.80 3d4b s VAL 213 N 0.48 2.82 -0.28 2.92 1.01 0.49 -0.40 120.40 127.43 3d4b s VAL 213 Ca -0.16 -1.30 -0.23 0.00 0.00 0.00 0.00 61.98 60.29 3d4b s VAL 213 Cb -0.17 -2.56 0.12 0.00 0.00 0.00 0.00 36.38 33.77 3d4b s VAL 213 CO 0.06 0.01 0.99 0.21 0.00 0.00 0.00 175.10 176.37 3d4b s ASN 214 N 1.25 -0.50 -0.01 3.32 3.84 -0.65 -0.53 114.94 121.67 3d4b s ASN 214 Ca -0.04 0.93 -0.23 0.00 0.21 0.00 0.00 52.86 53.74 3d4b s ASN 214 Cb -0.19 0.99 -0.13 0.00 -0.55 0.00 0.00 41.25 41.37 3d4b s ASN 214 CO -0.03 -0.16 0.97 -0.07 -2.79 0.00 0.00 177.10 175.02 3d4b h LEU 215 N 4.62 -0.59-10.22 3.21 3.38 -1.83 -3.24 115.31 110.65 3d4b h LEU 215 Ca -0.28 -0.03 -0.44 0.00 0.09 0.00 0.00 57.88 57.21 3d4b h LEU 215 Cb 1.18 0.15 0.19 0.00 0.09 0.00 0.00 40.66 42.27 3d4b h LEU 215 CO 0.12 -0.18 0.07 -0.83 0.09 0.00 0.00 178.44 177.70 3d4b s GLY 216 N -2.70 1.54 0.55 0.83 0.00 -1.26 -4.77 107.32 101.52 3d4b s GLY 216 Ca -0.12 -0.25 -0.21 0.00 0.00 0.00 0.00 44.72 44.14 3d4b s GLY 216 CO 0.39 0.45 1.26 -0.54 0.00 0.00 0.00 173.10 174.65 3d4b s GLU 217 N -4.64 3.19 0.23 2.90 2.02 -1.26 -5.03 118.70 116.10 3d4b s GLU 217 Ca 0.67 1.97 0.11 0.00 0.02 0.00 0.00 54.97 57.75 3d4b s GLU 217 Cb -0.23 -2.15 -0.05 0.00 0.10 0.00 0.00 34.13 31.81 3d4b s GLU 217 CO 0.62 -1.07 -0.20 0.95 0.02 0.00 0.00 175.26 175.58 3d4b s THR 218 N -1.47 2.28 0.57 3.63 -4.23 -1.26 -4.90 115.64 110.26 3d4b s THR 218 Ca 0.73 -2.23 0.36 0.00 -1.18 0.00 0.00 61.69 59.37 3d4b s THR 218 Cb -0.34 -2.17 0.36 0.00 1.34 0.00 0.00 72.50 71.69 3d4b s THR 218 CO 0.39 -0.34 2.11 -0.65 -0.54 0.00 0.00 174.62 175.58 3d4b h PRO 219 N 2.66 0.00 -0.64 3.99 0.11 -1.83 -2.69 132.00 133.60 3d4b h PRO 219 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 3d4b h PRO 219 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3d4b h PRO 219 CO 0.56 0.00 0.00 1.19 -0.21 0.00 0.00 178.00 179.54 3d4b n PHE 220 N -2.90 1.15 -0.35 0.65 3.01 -1.26 -4.60 117.46 113.16 3d4b n PHE 220 Ca -0.02 -0.56 0.05 0.00 1.01 0.00 0.00 57.45 57.92 3d4b n PHE 220 Cb 0.19 -0.12 0.21 0.00 -0.01 0.00 0.00 39.48 39.75 3d4b n PHE 220 CO 0.00 0.00 0.00 -0.44 1.01 0.00 0.00 176.76 177.33 3d4b h ASP 221 N 3.86 0.89 0.10 4.37 3.32 -1.89 -2.72 116.42 124.35 3d4b h ASP 221 Ca 0.00 0.04 -0.04 0.00 0.02 0.00 0.00 57.03 57.05 3d4b h ASP 221 Cb 1.19 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 40.59 3d4b h ASP 221 CO 0.11 0.50 -0.14 -2.24 -1.72 0.00 0.00 179.24 175.75 3d4b h ASP 222 N 0.98 0.09 -0.03 6.45 2.03 -1.86 -2.69 116.42 121.38 3d4b h ASP 222 Ca 0.46 -0.02 0.00 0.00 -0.73 0.00 0.00 57.03 56.75 3d4b h ASP 222 Cb 0.40 -0.02 0.00 0.00 -0.83 0.00 0.00 39.33 38.87 3d4b h ASP 222 CO -0.24 0.24 0.00 2.30 -1.03 0.00 0.00 179.24 180.51 3d4b n ILE 223 N -4.32 0.01 -2.39 4.15 -5.35 -1.03 -4.91 119.36 105.51 3d4b n ILE 223 Ca -0.02 -0.42 -0.41 0.00 -0.27 0.00 0.00 62.75 61.63 3d4b n ILE 223 Cb 0.24 1.14 -0.04 0.00 -1.74 0.00 0.00 39.64 39.24 3d4b n ILE 223 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3d4b s ALA 224 N -1.99 3.43 0.19 -1.28 0.00 -1.02 -4.67 121.76 116.43 3d4b s ALA 224 Ca 0.32 0.95 -0.08 0.00 0.00 0.00 0.00 51.96 53.15 3d4b s ALA 224 Cb 0.20 -3.39 0.09 0.00 0.00 0.00 0.00 23.12 20.02 3d4b s ALA 224 CO 0.31 -0.32 1.60 1.15 0.00 0.00 0.00 175.76 178.50 3d4b h THR 225 N 3.51 1.27 -3.39 0.00 2.02 -1.05 -3.45 112.91 111.81 3d4b h THR 225 Ca -0.45 -1.30 -0.26 0.00 0.77 0.00 0.00 66.41 65.17 3d4b h THR 225 Cb 1.21 1.06 -0.32 0.00 -1.74 0.00 0.00 68.15 68.36 3d4b h THR 225 CO 0.72 0.45 -0.65 -0.76 0.37 0.00 0.00 175.52 175.64 3d4b s LEU 226 N -9.09 0.98 -0.16 2.58 1.43 -1.15 -5.05 118.68 108.22 3d4b s LEU 226 Ca -0.11 0.18 0.01 0.00 -1.03 0.00 0.00 54.13 53.18 3d4b s LEU 226 Cb 0.13 0.19 0.02 0.00 0.03 0.00 0.00 46.19 46.56 3d4b s LEU 226 CO 0.86 -0.13 -0.16 -0.75 0.23 0.00 0.00 176.35 176.40 3d4b s LYS 227 N 0.99 2.47 -0.47 1.70 2.47 -1.26 -1.38 119.74 124.27 3d4b s LYS 227 Ca -0.08 -0.63 -0.12 0.00 -1.56 0.00 0.00 55.97 53.58 3d4b s LYS 227 Cb -0.11 -2.22 0.10 0.00 -1.46 0.00 0.00 37.83 34.14 3d4b s LYS 227 CO -0.04 -0.23 0.36 0.71 0.16 0.00 0.00 175.35 176.31 3d4b s TYR 228 N 1.43 3.31 -1.21 4.03 2.02 0.46 -4.96 117.35 122.44 3d4b s TYR 228 Ca 0.05 -1.38 -0.17 0.00 -0.37 0.00 0.00 57.07 55.21 3d4b s TYR 228 Cb -0.13 -3.29 0.12 0.00 -0.40 0.00 0.00 41.96 38.26 3d4b s TYR 228 CO -0.11 -0.90 1.53 -0.80 -1.57 0.00 0.00 175.55 173.70 3d4b s ASN 229 N 2.66 6.89 0.09 2.29 0.01 -1.26 -1.64 114.94 123.99 3d4b s ASN 229 Ca 0.04 -2.57 -0.25 0.00 -0.71 0.00 0.00 52.86 49.37 3d4b s ASN 229 Cb -0.25 -2.49 0.07 0.00 0.41 0.00 0.00 41.25 38.99 3d4b s ASN 229 CO 0.03 -1.01 0.66 0.00 -1.51 0.00 0.00 177.10 175.27 3d4b s MET 230 N 3.02 1.17 0.25 -0.60 0.23 -1.22 -4.87 119.30 117.27 3d4b s MET 230 Ca 0.47 -0.29 -0.30 0.00 -1.03 0.00 0.00 55.69 54.54 3d4b s MET 230 Cb -0.00 0.54 -0.14 0.00 -1.53 0.00 0.00 34.83 33.70 3d4b s MET 230 CO 0.02 -0.48 1.27 -3.47 -2.03 0.00 0.00 175.02 170.32 3d4b n ASP 231 N -0.07 2.21 0.04 -1.18 2.03 -1.26 -3.86 116.55 114.46 3d4b n ASP 231 Ca -0.16 1.16 -0.01 0.00 0.52 0.00 0.00 54.79 56.30 3d4b n ASP 231 Cb 0.63 -1.37 0.29 0.00 -0.72 0.00 0.00 41.12 39.95 3d4b n ASP 231 CO 0.00 0.00 0.00 -0.37 -1.92 0.00 0.00 177.20 174.91 3d4b h VAL 232 N 2.71 1.22 -0.39 5.18 -1.51 -1.92 -1.20 116.25 120.35 3d4b h VAL 232 Ca -0.44 -0.98 -0.05 0.00 -1.23 0.00 0.00 66.70 64.00 3d4b h VAL 232 Cb 1.30 1.18 -0.01 0.00 -2.13 0.00 0.00 31.29 31.63 3d4b h VAL 232 CO 0.70 0.32 0.03 0.58 -1.23 0.00 0.00 177.57 177.97 3d4b h VAL 233 N 0.39 1.25 -0.78 7.19 2.07 -1.93 -0.06 116.25 124.38 3d4b h VAL 233 Ca 0.07 -0.93 -0.02 0.00 0.82 0.00 0.00 66.70 66.65 3d4b h VAL 233 Cb 0.48 1.10 -0.04 0.00 -1.52 0.00 0.00 31.29 31.31 3d4b h VAL 233 CO 0.03 0.31 0.41 -0.08 0.02 0.00 0.00 177.57 178.26 3d4b h GLU 234 N 0.49 1.10 -0.20 1.57 4.57 -1.89 -0.19 114.58 120.04 3d4b h GLU 234 Ca 0.11 -0.14 -0.01 0.00 -1.18 0.00 0.00 59.36 58.15 3d4b h GLU 234 Cb 0.42 -0.21 -0.01 0.00 -0.16 0.00 0.00 28.75 28.79 3d4b h GLU 234 CO 0.01 0.82 0.10 0.35 -1.18 0.00 0.00 179.01 179.12 3d4b h PHE 235 N 1.08 0.28 -0.88 0.92 3.57 -1.09 -2.05 116.94 118.77 3d4b h PHE 235 Ca 0.27 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.78 3d4b h PHE 235 Cb 0.06 -0.09 -0.05 0.00 2.79 0.00 0.00 35.95 38.67 3d4b h PHE 235 CO 0.00 0.27 0.58 0.00 -2.23 0.00 0.00 178.31 176.93 3d4b h ALA 236 N 0.98 1.13 -0.37 2.41 0.00 -0.70 -0.47 119.26 122.24 3d4b h ALA 236 Ca 0.07 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 3d4b h ALA 236 Cb 0.09 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 3d4b h ALA 236 CO -0.01 0.47 0.21 -0.09 0.00 0.00 0.00 179.25 179.84 3d4b h ARG 237 N 1.15 0.51 -0.82 0.00 2.43 -0.83 -1.22 114.38 115.61 3d4b h ARG 237 Ca 0.33 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 59.43 3d4b h ARG 237 Cb -0.08 -0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 29.33 3d4b h ARG 237 CO -0.09 0.41 0.44 0.00 -1.51 0.00 0.00 179.97 179.22 3d4b h ARG 238 N 0.48 1.15 -0.43 0.20 2.47 -0.82 0.63 114.38 118.08 3d4b h ARG 238 Ca 0.13 -0.14 -0.06 0.00 -1.26 0.00 0.00 59.98 58.66 3d4b h ARG 238 Cb 0.04 -0.22 -0.02 0.00 -1.65 0.00 0.00 29.97 28.12 3d4b h ARG 238 CO -0.02 0.85 0.05 0.28 0.56 0.00 0.00 179.97 181.69 3d4b h VAL 239 N 1.16 1.25 -0.42 2.04 2.07 -0.82 0.13 116.25 121.65 3d4b h VAL 239 Ca 0.29 -0.93 -0.08 0.00 0.82 0.00 0.00 66.70 66.80 3d4b h VAL 239 Cb 0.05 1.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.83 3d4b h VAL 239 CO -0.04 0.32 -0.06 0.24 0.02 0.00 0.00 177.57 178.05 3d4b h MET 240 N 0.57 0.79 -0.12 1.57 2.86 -0.80 0.21 114.93 120.01 3d4b h MET 240 Ca 0.13 -0.28 -0.02 0.00 -2.06 0.00 0.00 59.70 57.46 3d4b h MET 240 Cb 0.41 -0.06 -0.00 0.00 0.06 0.00 0.00 31.60 32.01 3d4b h MET 240 CO 0.01 0.89 -0.01 0.93 1.06 0.00 0.00 176.91 179.79 3d4b h GLU 241 N 0.62 0.22 0.00 1.72 4.39 -0.78 0.11 114.58 120.86 3d4b h GLU 241 Ca 0.11 -0.08 -0.05 0.00 0.34 0.00 0.00 59.36 59.68 3d4b h GLU 241 Cb 0.57 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.20 3d4b h GLU 241 CO 0.03 0.49 -0.25 0.93 -1.16 0.00 0.00 179.01 179.05 3d4b h GLU 242 N -0.07 0.00 -0.02 2.33 4.39 -0.69 -3.14 114.58 117.39 3d4b h GLU 242 Ca 0.03 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.73 3d4b h GLU 242 Cb 0.40 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.05 3d4b h GLU 242 CO 0.01 0.25 -0.28 0.41 -1.16 0.00 0.00 179.01 178.23 3d4b n GLY 243 N 0.70 0.02 3.64 -3.84 0.00 0.73 -4.97 105.19 101.48 3d4b n GLY 243 Ca 0.02 -0.57 -0.23 0.00 0.00 0.00 0.00 46.02 45.24 3d4b n GLY 243 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3d4b n GLY 244 N 1.36 -0.46 0.90 -0.02 0.00 -0.75 -5.01 105.19 101.20 3d4b n GLY 244 Ca 0.12 0.19 0.12 0.00 0.00 0.00 0.00 46.02 46.45 3d4b n GLY 244 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71