#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2q4i s VAL 21 N 0.00 4.46 -0.38 3.15 1.01 -1.26 -4.37 120.40 123.01 2q4i s VAL 21 Ca 0.00 1.42 0.02 0.00 0.00 0.00 0.00 61.98 63.42 2q4i s VAL 21 Cb 0.00 -3.84 0.11 0.00 0.00 0.00 0.00 36.38 32.65 2q4i s VAL 21 CO 0.00 0.08 0.15 -1.10 0.00 0.00 0.00 175.10 174.23 2q4i s GLN 22 N -2.25 1.23 0.35 2.72 -0.21 0.89 -4.91 119.66 117.47 2q4i s GLN 22 Ca 0.49 -1.75 -0.29 0.00 0.02 0.00 0.00 55.36 53.83 2q4i s GLN 22 Cb -0.16 -2.56 -0.11 0.00 1.00 0.00 0.00 33.01 31.19 2q4i s GLN 22 CO 0.20 -1.04 1.49 -1.21 -2.12 0.00 0.00 175.29 172.61 2q4i s GLU 23 N 0.82 4.14 -0.05 2.91 2.02 -1.26 -3.09 118.70 124.19 2q4i s GLU 23 Ca 0.13 2.53 0.02 0.00 0.02 0.00 0.00 54.97 57.67 2q4i s GLU 23 Cb -0.21 -2.99 0.01 0.00 0.10 0.00 0.00 34.13 31.04 2q4i s GLU 23 CO -0.10 -0.52 -0.09 -1.17 0.02 0.00 0.00 175.26 173.40 2q4i s LEU 24 N -1.66 1.60 -0.11 1.80 2.96 -0.86 -4.97 118.68 117.44 2q4i s LEU 24 Ca 0.55 -0.23 0.01 0.00 -0.22 0.00 0.00 54.13 54.25 2q4i s LEU 24 Cb -0.46 -0.66 -0.01 0.00 0.50 0.00 0.00 46.19 45.55 2q4i s LEU 24 CO 0.58 0.02 -0.15 -0.44 -1.32 0.00 0.00 176.35 175.04 2q4i s SER 25 N 0.60 3.85 -0.01 3.68 0.01 -1.26 -1.12 113.70 119.46 2q4i s SER 25 Ca -0.11 -0.34 -0.12 0.00 1.31 0.00 0.00 55.95 56.69 2q4i s SER 25 Cb -0.14 -1.40 0.01 0.00 0.21 0.00 0.00 66.02 64.70 2q4i s SER 25 CO 0.02 0.20 0.24 0.68 0.41 0.00 0.00 173.24 174.79 2q4i s VAL 26 N 0.12 0.06 -0.16 3.43 -7.23 0.06 0.18 120.40 116.86 2q4i s VAL 26 Ca -0.07 -0.53 -0.02 0.00 -1.81 0.00 0.00 61.98 59.54 2q4i s VAL 26 Cb -0.15 -0.53 -0.02 0.00 0.56 0.00 0.00 36.38 36.24 2q4i s VAL 26 CO 0.05 -0.29 -0.08 -0.31 -0.31 0.00 0.00 175.10 174.15 2q4i s TYR 27 N -1.28 2.91 -0.35 2.82 2.02 -0.61 0.22 117.35 123.08 2q4i s TYR 27 Ca -0.13 -0.60 -0.06 0.00 -0.37 0.00 0.00 57.07 55.91 2q4i s TYR 27 Cb -0.06 -1.94 0.05 0.00 -0.40 0.00 0.00 41.96 39.61 2q4i s TYR 27 CO 0.03 -0.23 0.12 -2.00 -1.57 0.00 0.00 175.55 171.91 2q4i s GLU 28 N 0.59 2.58 -0.12 -0.62 2.12 -0.10 -0.59 118.70 122.56 2q4i s GLU 28 Ca -0.05 -1.25 -0.03 0.00 0.36 0.00 0.00 54.97 54.00 2q4i s GLU 28 Cb -0.15 -3.49 -0.03 0.00 0.26 0.00 0.00 34.13 30.71 2q4i s GLU 28 CO 0.03 -0.72 -0.02 0.42 -0.54 0.00 0.00 175.26 174.43 2q4i s ILE 29 N 1.39 4.14 -0.53 -3.70 1.01 -0.89 -1.61 121.20 121.01 2q4i s ILE 29 Ca -0.01 -0.29 -0.17 0.00 0.00 0.00 0.00 60.65 60.18 2q4i s ILE 29 Cb -0.20 -2.77 0.09 0.00 0.01 0.00 0.00 42.46 39.59 2q4i s ILE 29 CO 0.02 0.55 0.54 0.21 0.00 0.00 0.00 174.94 176.27 2q4i s ASN 30 N -0.31 6.18 0.00 3.58 3.84 0.35 -1.71 114.94 126.88 2q4i s ASN 30 Ca 0.06 -1.38 0.14 0.00 0.21 0.00 0.00 52.86 51.89 2q4i s ASN 30 Cb -0.12 -2.24 0.40 0.00 -0.55 0.00 0.00 41.25 38.74 2q4i s ASN 30 CO 0.02 -0.86 1.33 -0.62 -2.79 0.00 0.00 177.10 174.18 2q4i n GLU 31 N 5.69 1.95 -1.04 0.43 1.02 -1.26 -4.73 120.64 122.70 2q4i n GLU 31 Ca -0.11 -1.48 -0.01 0.00 -0.02 0.00 0.00 57.16 55.54 2q4i n GLU 31 Cb 0.43 -1.33 -0.01 0.00 -0.02 0.00 0.00 31.44 30.51 2q4i n GLU 31 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2q4i n LEU 32 N 0.70 0.26 -1.16 -4.62 4.77 -1.26 -4.90 117.00 110.79 2q4i n LEU 32 Ca 0.14 0.04 -0.04 0.00 -0.03 0.00 0.00 56.01 56.11 2q4i n LEU 32 Cb 0.35 -1.40 0.20 0.00 -2.33 0.00 0.00 43.42 40.24 2q4i n LEU 32 CO 0.10 -0.44 0.67 -0.90 -1.33 0.00 0.00 177.39 175.48 2q4i n ASP 33 N -0.29 2.45 -0.22 -1.43 5.75 -1.26 -4.50 116.55 117.05 2q4i n ASP 33 Ca -0.01 -3.81 0.04 0.00 -0.01 0.00 0.00 54.79 50.99 2q4i n ASP 33 Cb 0.23 -0.63 0.05 0.00 -1.03 0.00 0.00 41.12 39.74 2q4i n ASP 33 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2q4i n ARG 34 N -1.12 0.82 -1.62 0.11 1.74 -1.26 -4.99 116.66 110.33 2q4i n ARG 34 Ca 0.33 -1.57 -0.15 0.00 -0.77 0.00 0.00 57.85 55.69 2q4i n ARG 34 Cb 1.02 -0.92 -0.05 0.00 -1.02 0.00 0.00 32.46 31.48 2q4i n ARG 34 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 2q4i n HIS 35 N -0.59 -0.16 -4.24 -1.55 8.25 -1.26 -4.80 115.22 110.87 2q4i n HIS 35 Ca 0.06 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.38 2q4i n HIS 35 Cb 0.60 -2.70 -0.10 0.00 1.12 0.00 0.00 29.99 28.91 2q4i n HIS 35 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2q4i s SER 36 N -2.73 1.60 0.20 0.41 0.15 -1.26 -4.09 113.70 107.97 2q4i s SER 36 Ca 0.00 -1.05 -0.30 0.00 0.70 0.00 0.00 55.95 55.30 2q4i s SER 36 Cb 0.00 0.03 -0.08 0.00 -1.71 0.00 0.00 66.02 64.26 2q4i s SER 36 CO 0.00 -0.40 1.16 -2.16 1.20 0.00 0.00 173.24 173.04 2q4i s PRO 37 N -3.80 4.53 -0.13 5.44 0.04 -1.26 -4.81 135.00 135.02 2q4i s PRO 37 Ca 0.18 1.84 -0.15 0.00 0.04 0.00 0.00 61.00 62.90 2q4i s PRO 37 Cb 0.04 -3.24 -0.05 0.00 0.04 0.00 0.00 34.50 31.30 2q4i s PRO 37 CO 0.01 -0.01 0.37 0.21 0.04 0.00 0.00 177.00 177.62 2q4i s LYS 38 N -0.50 4.23 -0.23 4.56 2.47 -1.02 -5.04 119.74 124.21 2q4i s LYS 38 Ca 0.51 0.25 -0.04 0.00 -1.56 0.00 0.00 55.97 55.13 2q4i s LYS 38 Cb -0.32 -3.40 -0.00 0.00 -1.46 0.00 0.00 37.83 32.65 2q4i s LYS 38 CO 0.37 0.27 -0.03 0.42 0.16 0.00 0.00 175.35 176.54 2q4i s ILE 39 N 0.33 3.37 -0.34 5.43 1.01 -1.26 -3.31 121.20 126.42 2q4i s ILE 39 Ca 0.21 -0.61 -0.16 0.00 0.00 0.00 0.00 60.65 60.09 2q4i s ILE 39 Cb -0.14 -2.59 -0.01 0.00 0.01 0.00 0.00 42.46 39.73 2q4i s ILE 39 CO 0.07 0.34 0.38 -0.76 0.00 0.00 0.00 174.94 174.97 2q4i s LEU 40 N 1.46 4.44 -0.27 2.97 1.43 0.87 -4.97 118.68 124.60 2q4i s LEU 40 Ca 0.04 -0.22 -0.10 0.00 -1.03 0.00 0.00 54.13 52.83 2q4i s LEU 40 Cb -0.15 -2.37 -0.04 0.00 0.03 0.00 0.00 46.19 43.66 2q4i s LEU 40 CO -0.03 -0.36 0.16 -0.75 0.23 0.00 0.00 176.35 175.60 2q4i s LYS 41 N 2.06 3.83 0.00 1.70 2.47 -1.26 -0.47 119.74 128.07 2q4i s LYS 41 Ca 0.13 -0.39 0.00 0.00 -1.56 0.00 0.00 55.97 54.15 2q4i s LYS 41 Cb -0.16 -3.57 0.00 0.00 -1.46 0.00 0.00 37.83 32.63 2q4i s LYS 41 CO 0.12 -0.20 0.00 0.09 0.16 0.00 0.00 175.35 175.52 2q4i n ASN 42 N 5.02 1.38 -4.77 1.43 3.02 -1.25 -4.96 115.26 115.14 2q4i n ASN 42 Ca -0.15 -0.09 -0.39 0.00 -0.03 0.00 0.00 54.58 53.92 2q4i n ASN 42 Cb 0.52 0.46 -0.02 0.00 -0.61 0.00 0.00 39.78 40.12 2q4i n ASN 42 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2q4i s ALA 43 N -0.73 3.28 -1.25 5.41 0.00 -1.26 -4.89 121.76 122.31 2q4i s ALA 43 Ca 0.00 1.06 -0.10 0.00 0.00 0.00 0.00 51.96 52.92 2q4i s ALA 43 Cb 0.00 -3.41 0.18 0.00 0.00 0.00 0.00 23.12 19.89 2q4i s ALA 43 CO 0.00 -0.55 1.76 1.19 0.00 0.00 0.00 175.76 178.16 2q4i n PHE 44 N 0.38 3.33 -3.52 0.00 3.72 -1.26 -4.85 117.46 115.27 2q4i n PHE 44 Ca 0.03 -2.90 -0.16 0.00 -0.05 0.00 0.00 57.45 54.36 2q4i n PHE 44 Cb 0.45 -1.95 -0.05 0.00 -0.94 0.00 0.00 39.48 36.98 2q4i n PHE 44 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 2q4i s SER 45 N 1.11 -0.61 0.00 4.37 0.15 -1.26 -5.13 113.70 112.33 2q4i s SER 45 Ca 0.40 0.59 0.00 0.00 0.70 0.00 0.00 55.95 57.64 2q4i s SER 45 Cb 0.07 0.51 0.00 0.00 -1.71 0.00 0.00 66.02 64.89 2q4i s SER 45 CO 0.01 -0.62 0.60 0.18 1.20 0.00 0.00 173.24 174.61 2q4i n LEU 46 N 0.73 1.69 -4.84 3.45 4.77 -1.26 -4.92 117.00 116.60 2q4i n LEU 46 Ca -0.18 -0.84 -0.35 0.00 -0.03 0.00 0.00 56.01 54.61 2q4i n LEU 46 Cb 0.58 -0.35 -0.06 0.00 -2.33 0.00 0.00 43.42 41.26 2q4i n LEU 46 CO 0.21 0.30 0.29 -0.36 -1.33 0.00 0.00 177.39 176.50 2q4i s PHE 48 N -0.10 3.57 0.27 -1.77 0.08 -1.26 -5.21 117.98 113.56 2q4i s PHE 48 Ca 0.00 1.12 -0.15 0.00 0.12 0.00 0.00 56.93 58.03 2q4i s PHE 48 Cb 0.00 -2.42 0.01 0.00 -0.57 0.00 0.00 43.02 40.03 2q4i s PHE 48 CO 0.00 0.35 0.57 0.20 -0.10 0.00 0.00 175.22 176.24 2q4i s GLY 49 N -1.85 0.42 0.18 4.36 0.00 -1.26 -4.21 107.32 104.96 2q4i s GLY 49 Ca 0.42 -0.76 -0.33 0.00 0.00 0.00 0.00 44.72 44.05 2q4i s GLY 49 CO 0.20 -0.48 1.47 -0.10 0.00 0.00 0.00 173.10 174.18 2q4i n LEU 50 N -0.43 2.81 0.00 0.66 7.94 -1.26 -1.75 117.00 124.97 2q4i n LEU 50 Ca -0.03 1.11 0.00 0.00 -1.11 0.00 0.00 56.01 55.98 2q4i n LEU 50 Cb 0.61 -1.38 0.00 0.00 0.53 0.00 0.00 43.42 43.18 2q4i n LEU 50 CO 0.21 -0.51 0.00 0.61 -1.11 0.00 0.00 177.39 176.59 2q4i n GLY 51 N 2.81 1.35 3.72 -3.96 0.00 -1.26 -4.08 105.19 103.77 2q4i n GLY 51 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 2q4i n GLY 51 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2q4i s ASP 52 N -0.69 7.44 -0.05 1.61 1.01 -0.72 -3.78 116.67 121.49 2q4i s ASP 52 Ca 0.00 1.73 0.06 0.00 0.71 0.00 0.00 52.55 55.05 2q4i s ASP 52 Cb 0.00 -2.57 -0.01 0.00 1.01 0.00 0.00 42.92 41.35 2q4i s ASP 52 CO 0.00 -0.11 -0.22 -0.76 0.21 0.00 0.00 175.17 174.28 2q4i s LEU 53 N 0.27 2.01 -0.40 1.23 1.43 0.38 -2.10 118.68 121.51 2q4i s LEU 53 Ca 0.48 -0.45 0.02 0.00 -1.03 0.00 0.00 54.13 53.15 2q4i s LEU 53 Cb -0.22 -1.22 0.12 0.00 0.03 0.00 0.00 46.19 44.89 2q4i s LEU 53 CO 0.29 0.22 0.16 -0.69 0.23 0.00 0.00 176.35 176.56 2q4i s VAL 54 N -0.12 1.76 0.37 -1.59 1.01 0.37 -0.09 120.40 122.11 2q4i s VAL 54 Ca -0.03 -2.41 -0.26 0.00 0.00 0.00 0.00 61.98 59.28 2q4i s VAL 54 Cb -0.13 -2.27 -0.09 0.00 0.00 0.00 0.00 36.38 33.90 2q4i s VAL 54 CO 0.03 -0.75 1.12 -2.16 0.00 0.00 0.00 175.10 173.34 2q4i s PRO 55 N 0.63 4.25 0.01 2.72 0.04 -1.21 0.23 135.00 141.67 2q4i s PRO 55 Ca 0.14 1.74 -0.22 0.00 0.04 0.00 0.00 61.00 62.71 2q4i s PRO 55 Cb -0.22 -2.78 0.05 0.00 0.04 0.00 0.00 34.50 31.58 2q4i s PRO 55 CO -0.07 -0.12 0.48 -0.59 0.04 0.00 0.00 177.00 176.74 2q4i s PHE 56 N -1.41 -0.39 -0.22 0.56 -0.12 -0.63 -2.44 117.98 113.34 2q4i s PHE 56 Ca 0.54 0.52 -0.04 0.00 -0.05 0.00 0.00 56.93 57.90 2q4i s PHE 56 Cb -0.29 0.27 0.11 0.00 -0.63 0.00 0.00 43.02 42.49 2q4i s PHE 56 CO 0.36 -0.56 0.35 -0.08 -0.05 0.00 0.00 175.22 175.25 2q4i s THR 57 N -1.91 -0.56 0.42 -4.49 -1.32 -1.26 -2.12 115.64 104.40 2q4i s THR 57 Ca -0.08 0.02 0.07 0.00 -1.21 0.00 0.00 61.69 60.48 2q4i s THR 57 Cb -0.02 -0.72 -0.05 0.00 -1.51 0.00 0.00 72.50 70.20 2q4i s THR 57 CO 0.02 -0.06 0.13 0.20 -2.21 0.00 0.00 174.62 172.70 2q4i s ASN 58 N 2.52 4.26 0.80 8.08 0.01 -1.22 -4.72 114.94 124.67 2q4i s ASN 58 Ca 0.08 -1.21 -0.12 0.00 -0.71 0.00 0.00 52.86 50.90 2q4i s ASN 58 Cb -0.14 -0.35 0.07 0.00 0.41 0.00 0.00 41.25 41.24 2q4i s ASN 58 CO -0.14 -0.56 1.13 -0.54 -1.51 0.00 0.00 177.10 175.48 2q4i s LYS 59 N -3.86 2.08 -0.03 -0.60 1.02 -0.69 -1.39 119.74 116.27 2q4i s LYS 59 Ca 0.37 0.36 -0.01 0.00 0.02 0.00 0.00 55.97 56.71 2q4i s LYS 59 Cb 0.05 -1.94 0.02 0.00 -0.52 0.00 0.00 37.83 35.44 2q4i s LYS 59 CO 0.20 -1.56 0.05 -1.17 -0.92 0.00 0.00 175.35 171.95 2q4i s LEU 60 N -5.65 1.22 0.18 3.17 2.96 -0.43 -2.10 118.68 118.03 2q4i s LEU 60 Ca 0.61 0.10 0.07 0.00 -0.22 0.00 0.00 54.13 54.69 2q4i s LEU 60 Cb -0.12 0.07 -0.04 0.00 0.50 0.00 0.00 46.19 46.59 2q4i s LEU 60 CO 0.52 -0.10 -0.14 -0.31 -1.32 0.00 0.00 176.35 175.00 2q4i s TYR 61 N 0.81 1.59 1.07 5.38 2.02 0.24 0.75 117.35 129.21 2q4i s TYR 61 Ca -0.07 -0.59 -0.12 0.00 -0.37 0.00 0.00 57.07 55.92 2q4i s TYR 61 Cb -0.09 -0.77 0.23 0.00 -0.40 0.00 0.00 41.96 40.93 2q4i s TYR 61 CO -0.03 0.27 1.06 0.95 -1.57 0.00 0.00 175.55 176.24 2q4i s THR 62 N -2.81 2.09 0.31 -0.71 -4.23 0.13 -1.57 115.64 108.85 2q4i s THR 62 Ca 0.19 0.03 0.03 0.00 -1.18 0.00 0.00 61.69 60.76 2q4i s THR 62 Cb -0.01 -2.30 0.29 0.00 1.34 0.00 0.00 72.50 71.82 2q4i s THR 62 CO 0.05 -0.04 1.89 1.23 -0.54 0.00 0.00 174.62 177.21 2q4i h GLY 63 N -2.22 1.34 -0.45 3.99 0.00 0.16 -1.68 103.07 104.21 2q4i h GLY 63 Ca -0.57 -0.38 0.00 0.00 0.00 0.00 0.00 47.33 46.38 2q4i h GLY 63 CO 0.53 0.22 0.00 2.09 0.00 0.00 0.00 176.54 179.38 2q4i n ASP 64 N -4.53 1.09 -0.08 0.19 5.68 -1.26 -1.12 116.55 116.53 2q4i n ASP 64 Ca 0.15 -1.71 -0.01 0.00 -0.50 0.00 0.00 54.79 52.72 2q4i n ASP 64 Cb 0.30 -0.09 -0.00 0.00 -1.14 0.00 0.00 41.12 40.18 2q4i n ASP 64 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 2q4i n LEU 65 N -0.02 0.71 0.09 -2.12 4.77 -0.63 -4.60 117.00 115.20 2q4i n LEU 65 Ca 0.13 0.03 -0.03 0.00 -0.03 0.00 0.00 56.01 56.10 2q4i n LEU 65 Cb 0.22 -2.19 -0.05 0.00 -2.33 0.00 0.00 43.42 39.07 2q4i n LEU 65 CO 0.10 -0.84 0.28 0.11 -1.33 0.00 0.00 177.39 175.71 2q4i h LYS 66 N 0.16 0.00 -4.61 3.23 1.57 -1.91 0.14 116.57 115.14 2q4i h LYS 66 Ca -0.02 0.00 -0.33 0.00 -1.87 0.00 0.00 60.65 58.43 2q4i h LYS 66 Cb 0.85 0.00 -0.25 0.00 0.08 0.00 0.00 32.23 32.91 2q4i h LYS 66 CO 0.03 0.81 -0.76 0.15 -0.57 0.00 0.00 179.45 179.12 2q4i s LYS 67 N -2.86 0.57 -0.07 3.15 1.02 -1.26 -4.37 119.74 115.93 2q4i s LYS 67 Ca 0.02 -0.50 -0.30 0.00 0.02 0.00 0.00 55.97 55.21 2q4i s LYS 67 Cb 0.09 -0.48 -0.02 0.00 -0.52 0.00 0.00 37.83 36.90 2q4i s LYS 67 CO 0.79 0.12 1.08 0.50 -0.92 0.00 0.00 175.35 176.91 2q4i s ARG 68 N -0.83 4.42 -0.11 1.68 6.06 -0.83 0.19 118.95 129.52 2q4i s ARG 68 Ca -0.02 1.51 0.15 0.00 -2.50 0.00 0.00 55.73 54.87 2q4i s ARG 68 Cb -0.06 -3.52 -0.22 0.00 0.06 0.00 0.00 34.95 31.21 2q4i s ARG 68 CO 0.00 -0.32 0.17 1.33 -2.50 0.00 0.00 175.30 173.98 2q4i n VAL 69 N 4.45 0.70 0.00 7.11 0.24 0.23 -1.35 118.33 129.72 2q4i n VAL 69 Ca 0.09 -0.57 0.00 0.00 -2.04 0.00 0.00 64.34 61.82 2q4i n VAL 69 Cb 0.48 -0.34 0.00 0.00 -1.47 0.00 0.00 33.84 32.51 2q4i n VAL 69 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2q4i n GLY 70 N 1.85 -0.55 3.32 7.63 0.00 -0.96 -1.74 105.19 114.75 2q4i n GLY 70 Ca -0.18 -0.02 -0.09 0.00 0.00 0.00 0.00 46.02 45.73 2q4i n GLY 70 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2q4i s ILE 71 N -0.28 0.08 0.21 -0.61 -4.36 -1.05 -1.31 121.20 113.87 2q4i s ILE 71 Ca 0.00 -1.24 0.05 0.00 -0.26 0.00 0.00 60.65 59.20 2q4i s ILE 71 Cb 0.00 -1.67 -0.03 0.00 1.25 0.00 0.00 42.46 42.01 2q4i s ILE 71 CO 0.00 -0.36 0.30 0.42 0.24 0.00 0.00 174.94 175.54 2q4i s THR 72 N -3.93 5.10 -0.26 8.37 -4.23 -0.49 0.06 115.64 120.26 2q4i s THR 72 Ca 0.13 -0.97 -0.13 0.00 -1.18 0.00 0.00 61.69 59.54 2q4i s THR 72 Cb 0.03 -3.72 0.09 0.00 1.34 0.00 0.00 72.50 70.25 2q4i s THR 72 CO -0.03 -0.25 0.62 0.00 -0.54 0.00 0.00 174.62 174.42 2q4i s ALA 73 N -1.92 -1.76 0.00 3.99 0.00 -0.37 -3.39 121.76 118.30 2q4i s ALA 73 Ca 0.34 2.22 0.00 0.00 0.00 0.00 0.00 51.96 54.51 2q4i s ALA 73 Cb -0.09 -1.46 0.00 0.00 0.00 0.00 0.00 23.12 21.57 2q4i s ALA 73 CO 0.28 -0.55 0.00 0.41 0.00 0.00 0.00 175.76 175.90 2q4i n GLY 74 N 4.72 -0.67 2.82 0.00 0.00 -0.90 -0.96 105.19 110.20 2q4i n GLY 74 Ca -0.17 -0.40 -0.14 0.00 0.00 0.00 0.00 46.02 45.30 2q4i n GLY 74 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2q4i s LEU 75 N 0.00 1.46 -0.17 0.99 2.96 -0.54 -1.61 118.68 121.77 2q4i s LEU 75 Ca 0.00 0.01 -0.07 0.00 -0.22 0.00 0.00 54.13 53.85 2q4i s LEU 75 Cb 0.00 -0.08 -0.04 0.00 0.50 0.00 0.00 46.19 46.57 2q4i s LEU 75 CO 0.00 -0.07 0.06 0.00 -1.32 0.00 0.00 176.35 175.03 2q4i s VAL 77 N 0.22 3.23 0.19 0.00 1.01 -0.37 0.14 120.40 124.82 2q4i s VAL 77 Ca 0.04 -0.55 -0.30 0.00 0.00 0.00 0.00 61.98 61.17 2q4i s VAL 77 Cb -0.12 -2.45 -0.08 0.00 0.00 0.00 0.00 36.38 33.73 2q4i s VAL 77 CO 0.00 0.45 1.19 -0.69 0.00 0.00 0.00 175.10 176.05 2q4i s VAL 78 N 1.28 3.58 -0.23 2.92 1.01 -0.89 -0.47 120.40 127.61 2q4i s VAL 78 Ca 0.03 1.34 -0.00 0.00 0.00 0.00 0.00 61.98 63.35 2q4i s VAL 78 Cb -0.14 -3.86 -0.14 0.00 0.00 0.00 0.00 36.38 32.24 2q4i s VAL 78 CO -0.03 0.22 -0.22 -0.38 0.00 0.00 0.00 175.10 174.69 2q4i n ILE 79 N 2.45 1.31 -3.83 2.22 2.08 -0.15 -4.24 119.36 119.20 2q4i n ILE 79 Ca 0.04 -0.48 -0.02 0.00 0.56 0.00 0.00 62.75 62.85 2q4i n ILE 79 Cb 0.45 -1.37 0.01 0.00 -0.75 0.00 0.00 39.64 37.97 2q4i n ILE 79 CO 0.00 0.00 0.00 -1.83 0.56 0.00 0.00 176.55 175.28 2q4i s GLU 80 N -2.45 1.14 -0.09 0.38 -1.05 -1.21 -4.28 118.70 111.13 2q4i s GLU 80 Ca -0.31 -0.70 -0.02 0.00 -0.15 0.00 0.00 54.97 53.79 2q4i s GLU 80 Cb 0.09 0.34 -0.03 0.00 -0.44 0.00 0.00 34.13 34.08 2q4i s GLU 80 CO 0.51 -0.53 -0.01 -1.58 0.95 0.00 0.00 175.26 174.60 2q4i s HIS 81 N -2.50 3.13 -0.69 4.83 5.65 -1.26 -2.78 115.29 121.68 2q4i s HIS 81 Ca 0.19 0.12 0.05 0.00 0.25 0.00 0.00 55.06 55.67 2q4i s HIS 81 Cb -0.01 -1.81 0.19 0.00 -1.18 0.00 0.00 32.58 29.77 2q4i s HIS 81 CO 0.03 0.39 0.57 0.28 -0.65 0.00 0.00 174.74 175.36 2q4i n VAL 82 N 2.35 1.81 0.10 0.89 0.31 -0.27 -4.92 118.33 118.60 2q4i n VAL 82 Ca -0.18 -4.95 0.17 0.00 -0.01 0.00 0.00 64.34 59.36 2q4i n VAL 82 Cb 0.53 -2.16 0.71 0.00 -0.91 0.00 0.00 33.84 32.01 2q4i n VAL 82 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 2q4i h PRO 83 N 5.05 0.00 0.00 5.55 0.13 -1.97 0.58 132.00 141.33 2q4i h PRO 83 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 2q4i h PRO 83 Cb 0.73 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.86 2q4i h PRO 83 CO 0.75 0.00 0.00 -0.85 -0.23 0.00 0.00 178.00 177.67 2q4i n GLU 84 N -4.29 0.73 0.00 0.86 0.00 -1.26 -2.34 120.64 114.33 2q4i n GLU 84 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.21 2q4i n GLU 84 Cb 0.43 -1.50 0.00 0.00 0.00 0.00 0.00 31.44 30.37 2q4i n GLU 84 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 2q4i n LYS 85 N -1.12 0.38 -3.65 3.44 4.76 0.13 -5.04 118.16 117.06 2q4i n LYS 85 Ca 0.19 -0.83 -0.27 0.00 -2.87 0.00 0.00 58.31 54.52 2q4i n LYS 85 Cb 0.16 -0.99 0.03 0.00 -1.84 0.00 0.00 35.03 32.39 2q4i n LYS 85 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2q4i n LYS 86 N -0.17 -1.20 -0.83 1.97 4.76 -0.82 -4.71 118.16 117.16 2q4i n LYS 86 Ca 0.00 0.62 0.00 0.00 -2.87 0.00 0.00 58.31 56.06 2q4i n LYS 86 Cb 0.09 -3.86 0.00 0.00 -1.84 0.00 0.00 35.03 29.42 2q4i n LYS 86 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2q4i n GLY 87 N -1.72 -0.69 3.35 0.72 0.00 -1.18 -4.86 105.19 100.80 2q4i n GLY 87 Ca -0.12 -0.46 -0.13 0.00 0.00 0.00 0.00 46.02 45.31 2q4i n GLY 87 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2q4i s GLU 88 N -0.46 0.98 0.07 1.61 1.03 -1.26 -1.12 118.70 119.55 2q4i s GLU 88 Ca 0.00 -0.32 -0.19 0.00 0.03 0.00 0.00 54.97 54.49 2q4i s GLU 88 Cb 0.00 0.44 -0.07 0.00 -0.80 0.00 0.00 34.13 33.71 2q4i s GLU 88 CO 0.00 -0.35 0.56 0.50 -1.33 0.00 0.00 175.26 174.64 2q4i s ARG 89 N -2.54 4.18 0.21 -4.83 3.52 -1.12 -2.64 118.95 115.74 2q4i s ARG 89 Ca -0.05 0.72 0.11 0.00 -0.13 0.00 0.00 55.73 56.38 2q4i s ARG 89 Cb -0.01 -3.23 -0.05 0.00 -1.56 0.00 0.00 34.95 30.10 2q4i s ARG 89 CO -0.03 0.64 -0.22 -0.06 -0.81 0.00 0.00 175.30 174.82 2q4i s PHE 90 N -1.11 2.24 -0.24 5.12 0.08 -0.43 -0.97 117.98 122.67 2q4i s PHE 90 Ca 0.29 -0.37 -0.02 0.00 0.12 0.00 0.00 56.93 56.95 2q4i s PHE 90 Cb -0.19 -1.07 0.02 0.00 -0.57 0.00 0.00 43.02 41.21 2q4i s PHE 90 CO 0.19 0.54 -0.07 -2.00 -0.10 0.00 0.00 175.22 173.77 2q4i s GLU 91 N -2.92 2.95 -0.05 0.44 2.56 0.38 -2.07 118.70 119.99 2q4i s GLU 91 Ca 0.23 -0.90 0.04 0.00 0.00 0.00 0.00 54.97 54.34 2q4i s GLU 91 Cb -0.07 -2.94 -0.03 0.00 2.00 0.00 0.00 34.13 33.10 2q4i s GLU 91 CO 0.11 -0.34 -0.16 0.00 -0.56 0.00 0.00 175.26 174.31 2q4i s ALA 92 N 1.35 2.61 -0.04 6.30 0.00 0.21 -1.23 121.76 130.96 2q4i s ALA 92 Ca 0.02 -0.99 0.01 0.00 0.00 0.00 0.00 51.96 51.00 2q4i s ALA 92 Cb -0.16 -0.93 0.02 0.00 0.00 0.00 0.00 23.12 22.06 2q4i s ALA 92 CO -0.05 0.55 -0.06 0.99 0.00 0.00 0.00 175.76 177.19 2q4i s THR 93 N -0.71 0.59 -0.08 0.00 2.01 -0.93 -1.24 115.64 115.28 2q4i s THR 93 Ca 0.11 -0.18 -0.32 0.00 0.31 0.00 0.00 61.69 61.61 2q4i s THR 93 Cb -0.11 -0.59 0.13 0.00 0.01 0.00 0.00 72.50 71.95 2q4i s THR 93 CO 0.00 0.23 1.40 -0.72 -0.69 0.00 0.00 174.62 174.84 2q4i s TYR 94 N 0.73 -0.01 0.02 4.92 -0.85 -0.86 -1.47 117.35 119.83 2q4i s TYR 94 Ca -0.10 -0.02 0.03 0.00 -0.52 0.00 0.00 57.07 56.46 2q4i s TYR 94 Cb -0.13 0.51 -0.01 0.00 0.38 0.00 0.00 41.96 42.71 2q4i s TYR 94 CO 0.01 -0.07 -0.10 -1.12 -1.52 0.00 0.00 175.55 172.74 2q4i s SER 95 N -3.22 1.16 -0.24 -0.18 0.01 -0.13 -0.71 113.70 110.38 2q4i s SER 95 Ca 0.19 -0.32 -0.13 0.00 1.31 0.00 0.00 55.95 57.00 2q4i s SER 95 Cb 0.05 -0.08 -0.04 0.00 0.21 0.00 0.00 66.02 66.16 2q4i s SER 95 CO -0.05 0.02 0.26 -0.36 0.41 0.00 0.00 173.24 173.52 2q4i s PHE 96 N -0.63 3.31 -0.12 2.43 0.08 0.11 -1.24 117.98 121.92 2q4i s PHE 96 Ca 0.00 0.35 -0.02 0.00 0.12 0.00 0.00 56.93 57.38 2q4i s PHE 96 Cb -0.06 -2.40 -0.03 0.00 -0.57 0.00 0.00 43.02 39.96 2q4i s PHE 96 CO 0.00 -0.02 -0.04 0.71 -0.10 0.00 0.00 175.22 175.77 2q4i s TYR 97 N 1.35 3.02 -0.54 0.36 2.02 0.11 -1.23 117.35 122.44 2q4i s TYR 97 Ca 0.12 -0.15 0.05 0.00 -0.37 0.00 0.00 57.07 56.72 2q4i s TYR 97 Cb -0.14 -1.87 0.36 0.00 -0.40 0.00 0.00 41.96 39.91 2q4i s TYR 97 CO 0.07 0.13 0.99 1.19 -1.57 0.00 0.00 175.55 176.36 2q4i n PHE 98 N 2.99 3.84 0.00 2.71 0.99 -0.03 -2.54 117.46 125.42 2q4i n PHE 98 Ca -0.18 -3.77 0.00 0.00 -0.00 0.00 0.00 57.45 53.50 2q4i n PHE 98 Cb 0.53 -0.39 0.00 0.00 -1.00 0.00 0.00 39.48 38.62 2q4i n PHE 98 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 2q4i n GLY 99 N -0.30 3.21 0.26 1.37 0.00 -0.71 -1.35 105.19 107.67 2q4i n GLY 99 Ca 0.33 -0.03 0.14 0.00 0.00 0.00 0.00 46.02 46.46 2q4i n GLY 99 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2q4i h ASP 100 N 0.00 0.00 0.72 1.61 3.32 -1.58 -3.21 116.42 117.29 2q4i h ASP 100 Ca 0.00 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.01 2q4i h ASP 100 Cb 0.00 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 2q4i h ASP 100 CO 0.00 0.10 -0.19 1.88 -1.72 0.00 0.00 179.24 179.31 2q4i h TYR 101 N 0.00 0.00 0.00 4.55 0.05 -1.52 -3.47 116.97 116.59 2q4i h TYR 101 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 2q4i h TYR 101 Cb 0.58 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.32 2q4i h TYR 101 CO 0.00 0.19 0.00 0.41 -1.05 0.00 0.00 178.16 177.71 2q4i n GLY 102 N -0.14 0.17 3.42 3.88 0.00 -1.21 0.25 105.19 111.55 2q4i n GLY 102 Ca -0.01 -1.86 -0.12 0.00 0.00 0.00 0.00 46.02 44.03 2q4i n GLY 102 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2q4i s HIS 103 N -0.53 -0.52 0.08 1.61 -3.43 -1.16 -0.85 115.29 110.49 2q4i s HIS 103 Ca 0.00 0.32 0.08 0.00 -0.80 0.00 0.00 55.06 54.67 2q4i s HIS 103 Cb 0.00 0.54 -0.04 0.00 -1.43 0.00 0.00 32.58 31.65 2q4i s HIS 103 CO 0.00 -0.83 -0.19 -0.51 -2.00 0.00 0.00 174.74 171.21 2q4i s LEU 104 N -2.71 2.61 0.19 5.38 1.43 -0.37 0.20 118.68 125.42 2q4i s LEU 104 Ca 0.01 -0.52 0.11 0.00 -1.03 0.00 0.00 54.13 52.70 2q4i s LEU 104 Cb -0.01 -1.50 -0.04 0.00 0.03 0.00 0.00 46.19 44.67 2q4i s LEU 104 CO -0.12 0.21 -0.22 -0.44 0.23 0.00 0.00 176.35 176.01 2q4i s SER 105 N -1.82 3.54 0.14 2.29 0.01 0.42 0.07 113.70 118.35 2q4i s SER 105 Ca 0.16 -0.82 -0.06 0.00 1.31 0.00 0.00 55.95 56.53 2q4i s SER 105 Cb -0.10 -0.32 -0.02 0.00 0.21 0.00 0.00 66.02 65.79 2q4i s SER 105 CO 0.08 0.12 0.19 0.68 0.41 0.00 0.00 173.24 174.72 2q4i s VAL 106 N -1.65 0.10 -0.21 3.43 -7.23 0.11 0.04 120.40 114.99 2q4i s VAL 106 Ca 0.21 -1.51 -0.18 0.00 -1.81 0.00 0.00 61.98 58.69 2q4i s VAL 106 Cb -0.08 -1.79 0.06 0.00 0.56 0.00 0.00 36.38 35.12 2q4i s VAL 106 CO 0.10 -0.44 0.55 -1.58 -0.31 0.00 0.00 175.10 173.43 2q4i s GLN 107 N -3.97 0.63 0.00 4.82 0.74 -0.93 -2.03 119.66 118.92 2q4i s GLN 107 Ca 0.16 0.81 0.00 0.00 0.05 0.00 0.00 55.36 56.38 2q4i s GLN 107 Cb 0.05 0.27 0.00 0.00 1.10 0.00 0.00 33.01 34.43 2q4i s GLN 107 CO -0.02 -0.09 0.00 0.41 -0.55 0.00 0.00 175.29 175.04 2q4i n GLY 108 N 3.05 -0.02 3.75 2.59 0.00 -0.38 -1.26 105.19 112.91 2q4i n GLY 108 Ca -0.15 -1.32 -0.39 0.00 0.00 0.00 0.00 46.02 44.16 2q4i n GLY 108 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2q4i s PRO 109 N -2.00 4.36 -0.24 1.61 0.04 -1.26 -0.62 135.00 136.89 2q4i s PRO 109 Ca 0.00 0.79 0.02 0.00 0.04 0.00 0.00 61.00 61.84 2q4i s PRO 109 Cb 0.00 -3.37 0.04 0.00 0.04 0.00 0.00 34.50 31.22 2q4i s PRO 109 CO 0.00 0.29 -0.12 -0.47 0.04 0.00 0.00 177.00 176.74 2q4i s TYR 110 N 0.05 3.12 -0.10 0.56 5.04 -0.88 -4.68 117.35 120.46 2q4i s TYR 110 Ca 0.33 -2.03 -0.01 0.00 -2.44 0.00 0.00 57.07 52.92 2q4i s TYR 110 Cb -0.18 -1.96 -0.03 0.00 0.35 0.00 0.00 41.96 40.14 2q4i s TYR 110 CO 0.18 -0.84 -0.06 -0.51 -1.34 0.00 0.00 175.55 172.98 2q4i s LEU 111 N 1.19 3.19 0.00 6.97 1.43 -1.26 -1.31 118.68 128.88 2q4i s LEU 111 Ca -0.04 -0.07 0.31 0.00 -1.03 0.00 0.00 54.13 53.30 2q4i s LEU 111 Cb -0.18 -1.72 1.76 0.00 0.03 0.00 0.00 46.19 46.08 2q4i s LEU 111 CO -0.07 0.28 2.16 0.35 0.23 0.00 0.00 176.35 179.30 2q4i n THR 112 N 2.78 0.00 0.44 5.49 -2.24 -1.08 -3.84 114.28 115.82 2q4i n THR 112 Ca -0.18 -0.01 0.05 0.00 -2.27 0.00 0.00 64.05 61.64 2q4i n THR 112 Cb 0.53 -0.45 -0.04 0.00 -2.10 0.00 0.00 70.33 68.27 2q4i n THR 112 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2q4i n TYR 113 N -1.04 0.00 -3.84 4.78 0.18 -1.26 -4.93 117.16 111.06 2q4i n TYR 113 Ca 0.21 0.00 -0.06 0.00 1.88 0.00 0.00 57.90 59.93 2q4i n TYR 113 Cb 0.16 0.00 -0.02 0.00 -0.38 0.00 0.00 39.34 39.10 2q4i n TYR 113 CO 0.00 0.00 0.00 -1.83 -2.08 0.00 0.00 176.86 172.95 2q4i s GLU 114 N -1.71 1.67 0.52 -3.48 -1.05 -1.25 -5.11 118.70 108.28 2q4i s GLU 114 Ca 0.05 -0.92 -0.21 0.00 -0.15 0.00 0.00 54.97 53.74 2q4i s GLU 114 Cb 0.07 0.57 -0.06 0.00 -0.44 0.00 0.00 34.13 34.27 2q4i s GLU 114 CO 0.34 -0.76 1.20 -0.51 0.95 0.00 0.00 175.26 176.47 2q4i s ASP 115 N -2.92 5.73 0.03 0.83 1.01 -1.26 -4.45 116.67 115.65 2q4i s ASP 115 Ca 0.11 2.37 -0.01 0.00 0.71 0.00 0.00 52.55 55.74 2q4i s ASP 115 Cb -0.05 -2.60 -0.03 0.00 1.01 0.00 0.00 42.92 41.25 2q4i s ASP 115 CO 0.06 -1.22 -0.03 -0.94 0.21 0.00 0.00 175.17 173.25 2q4i s SER 116 N -1.42 0.33 -0.08 0.27 1.04 -1.13 -4.97 113.70 107.74 2q4i s SER 116 Ca 0.70 -0.69 -0.00 0.00 0.48 0.00 0.00 55.95 56.43 2q4i s SER 116 Cb -0.30 0.14 -0.03 0.00 0.10 0.00 0.00 66.02 65.93 2q4i s SER 116 CO 0.35 -0.42 -0.04 -0.36 0.98 0.00 0.00 173.24 173.75 2q4i s PHE 117 N -2.42 3.03 0.24 5.02 0.08 -1.26 -1.15 117.98 121.51 2q4i s PHE 117 Ca -0.07 0.07 0.11 0.00 0.12 0.00 0.00 56.93 57.15 2q4i s PHE 117 Cb -0.03 -1.75 -0.05 0.00 -0.57 0.00 0.00 43.02 40.62 2q4i s PHE 117 CO -0.04 0.36 -0.19 -0.51 -0.10 0.00 0.00 175.22 174.74 2q4i s LEU 118 N -0.77 2.55 0.07 -0.37 1.02 -0.20 -4.38 118.68 116.61 2q4i s LEU 118 Ca 0.12 -1.00 -0.31 0.00 0.02 0.00 0.00 54.13 52.96 2q4i s LEU 118 Cb -0.11 -0.97 -0.06 0.00 0.02 0.00 0.00 46.19 45.07 2q4i s LEU 118 CO 0.02 -0.01 1.20 0.00 0.02 0.00 0.00 176.35 177.57 2q4i s ALA 119 N -2.51 3.40 -0.25 4.21 0.00 -0.39 -1.52 121.76 124.69 2q4i s ALA 119 Ca 0.26 0.86 -0.29 0.00 0.00 0.00 0.00 51.96 52.79 2q4i s ALA 119 Cb -0.04 -3.44 0.01 0.00 0.00 0.00 0.00 23.12 19.64 2q4i s ALA 119 CO 0.12 -0.43 1.09 0.42 0.00 0.00 0.00 175.76 176.97 2q4i s ILE 120 N 0.96 4.55 -0.50 0.00 1.01 0.10 -2.18 121.20 125.15 2q4i s ILE 120 Ca 0.58 1.85 0.24 0.00 0.00 0.00 0.00 60.65 63.32 2q4i s ILE 120 Cb -0.30 -4.28 0.14 0.00 0.01 0.00 0.00 42.46 38.03 2q4i s ILE 120 CO 0.30 -0.26 1.39 0.71 0.00 0.00 0.00 174.94 177.07 2q4i h THR 121 N 5.55 0.00 0.00 2.92 1.35 -0.69 -3.36 112.91 118.68 2q4i h THR 121 Ca -0.21 -0.74 0.00 0.00 -0.55 0.00 0.00 66.41 64.91 2q4i h THR 121 Cb 1.07 1.46 0.00 0.00 -1.73 0.00 0.00 68.15 68.95 2q4i h THR 121 CO 0.99 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.87 2q4i n GLY 122 N 1.24 -0.35 0.00 5.82 0.00 -1.19 -4.96 105.19 105.74 2q4i n GLY 122 Ca 0.03 -1.72 0.00 0.00 0.00 0.00 0.00 46.02 44.33 2q4i n GLY 122 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2q4i n GLY 123 N -1.49 2.36 2.91 -0.02 0.00 -1.25 0.16 105.19 107.86 2q4i n GLY 123 Ca 0.00 -1.11 -0.14 0.00 0.00 0.00 0.00 46.02 44.77 2q4i n GLY 123 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2q4i n ALA 124 N -3.00 -0.11 -0.67 4.61 0.00 0.13 -4.16 120.51 117.32 2q4i n ALA 124 Ca 0.00 -1.47 0.00 0.00 0.00 0.00 0.00 53.44 51.97 2q4i n ALA 124 Cb 0.00 1.19 0.00 0.00 0.00 0.00 0.00 19.45 20.64 2q4i n ALA 124 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2q4i n GLY 125 N -0.51 2.41 0.21 0.00 0.00 -1.26 -0.84 105.19 105.19 2q4i n GLY 125 Ca 0.02 -0.36 0.15 0.00 0.00 0.00 0.00 46.02 45.82 2q4i n GLY 125 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 2q4i h ILE 126 N 0.00 0.00 -0.24 -0.61 3.07 -0.54 -2.72 117.51 116.46 2q4i h ILE 126 Ca 0.00 -0.28 0.00 0.00 1.55 0.00 0.00 64.86 66.13 2q4i h ILE 126 Cb 0.00 1.10 0.00 0.00 -0.27 0.00 0.00 36.82 37.65 2q4i h ILE 126 CO 0.00 0.00 0.00 0.49 -1.05 0.00 0.00 178.15 177.59 2q4i n PHE 127 N -2.62 0.32 -1.65 0.16 3.72 -0.02 -4.55 117.46 112.82 2q4i n PHE 127 Ca 0.01 -0.16 -0.44 0.00 -0.05 0.00 0.00 57.45 56.81 2q4i n PHE 127 Cb 0.22 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 38.74 2q4i n PHE 127 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 176.76 174.80 2q4i n GLU 128 N 0.27 1.77 -0.35 -1.08 0.00 -1.03 -0.67 120.64 119.55 2q4i n GLU 128 Ca 0.12 0.62 0.00 0.00 0.00 0.00 0.00 57.16 57.90 2q4i n GLU 128 Cb 0.26 -2.12 0.00 0.00 0.00 0.00 0.00 31.44 29.58 2q4i n GLU 128 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2q4i n GLY 129 N 1.10 1.33 3.70 8.31 0.00 -1.26 -4.36 105.19 114.02 2q4i n GLY 129 Ca 0.08 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.66 2q4i n GLY 129 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2q4i n ALA 130 N -0.36 1.73 -3.22 4.61 0.00 0.15 -4.41 120.51 119.01 2q4i n ALA 130 Ca 0.00 0.39 -0.10 0.00 0.00 0.00 0.00 53.44 53.73 2q4i n ALA 130 Cb 0.00 -2.35 -0.04 0.00 0.00 0.00 0.00 19.45 17.06 2q4i n ALA 130 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 2q4i s TYR 131 N -0.13 0.45 -0.53 0.00 -0.85 -0.70 -3.77 117.35 111.82 2q4i s TYR 131 Ca 0.65 -0.83 0.00 0.00 -0.52 0.00 0.00 57.07 56.37 2q4i s TYR 131 Cb -0.58 0.23 0.00 0.00 0.38 0.00 0.00 41.96 41.99 2q4i s TYR 131 CO 0.50 -1.10 0.00 0.41 -1.52 0.00 0.00 175.55 173.85 2q4i n GLY 132 N -0.44 0.57 3.40 5.49 0.00 -1.26 -1.81 105.19 111.14 2q4i n GLY 132 Ca -0.02 -2.23 -0.20 0.00 0.00 0.00 0.00 46.02 43.58 2q4i n GLY 132 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2q4i s GLN 133 N -0.21 1.50 0.00 1.61 -2.07 -1.26 -0.72 119.66 118.51 2q4i s GLN 133 Ca 0.00 -1.77 0.02 0.00 -1.82 0.00 0.00 55.36 51.78 2q4i s GLN 133 Cb 0.00 -0.91 -0.01 0.00 -1.09 0.00 0.00 33.01 31.01 2q4i s GLN 133 CO 0.00 -0.06 -0.06 0.54 -1.32 0.00 0.00 175.29 174.40 2q4i s VAL 134 N -3.21 0.44 -0.28 3.63 0.11 -0.58 -1.70 120.40 118.81 2q4i s VAL 134 Ca 0.30 -0.32 -0.11 0.00 -2.93 0.00 0.00 61.98 58.92 2q4i s VAL 134 Cb 0.05 -0.39 -0.05 0.00 -1.53 0.00 0.00 36.38 34.46 2q4i s VAL 134 CO 0.11 0.07 0.19 -0.75 -3.33 0.00 0.00 175.10 171.39 2q4i s LYS 135 N -0.28 3.96 -0.23 1.54 2.20 -0.46 -1.04 119.74 125.43 2q4i s LYS 135 Ca 0.01 -0.31 -0.13 0.00 -0.36 0.00 0.00 55.97 55.17 2q4i s LYS 135 Cb -0.03 -3.65 -0.04 0.00 -1.51 0.00 0.00 37.83 32.60 2q4i s LYS 135 CO -0.00 -0.16 0.28 -1.17 -0.36 0.00 0.00 175.35 173.93 2q4i s LEU 136 N 1.71 4.12 -0.12 5.43 0.20 -0.30 -1.50 118.68 128.23 2q4i s LEU 136 Ca 0.07 0.29 -0.00 0.00 0.69 0.00 0.00 54.13 55.18 2q4i s LEU 136 Cb -0.16 -2.30 -0.02 0.00 -0.43 0.00 0.00 46.19 43.28 2q4i s LEU 136 CO 0.11 -0.02 -0.11 -1.10 -0.29 0.00 0.00 176.35 174.94 2q4i s GLN 137 N 1.26 3.25 -0.37 1.98 -0.21 0.66 -2.84 119.66 123.39 2q4i s GLN 137 Ca 0.13 -0.64 -0.17 0.00 0.02 0.00 0.00 55.36 54.70 2q4i s GLN 137 Cb -0.14 -2.65 0.00 0.00 1.00 0.00 0.00 33.01 31.22 2q4i s GLN 137 CO 0.06 0.33 0.43 -1.14 -2.12 0.00 0.00 175.29 172.85 2q4i s GLN 138 N 0.07 3.43 -0.24 2.91 0.74 -1.26 -1.62 119.66 123.68 2q4i s GLN 138 Ca -0.04 -0.46 -0.15 0.00 0.05 0.00 0.00 55.36 54.77 2q4i s GLN 138 Cb -0.14 -3.86 -0.16 0.00 1.10 0.00 0.00 33.01 29.95 2q4i s GLN 138 CO 0.04 -0.66 -0.11 1.28 -0.55 0.00 0.00 175.29 175.29 2q4i n LEU 139 N 5.56 2.06 -3.69 3.68 4.32 -0.99 -4.92 117.00 123.01 2q4i n LEU 139 Ca -0.07 0.32 -0.20 0.00 -0.02 0.00 0.00 56.01 56.03 2q4i n LEU 139 Cb 0.49 -0.90 -0.18 0.00 -1.62 0.00 0.00 43.42 41.21 2q4i n LEU 139 CO 0.43 0.53 -0.35 -0.69 -1.22 0.00 0.00 177.39 176.10 2q4i s VAL 140 N -2.46 -0.04 -0.16 4.08 1.01 -1.07 -4.42 120.40 117.34 2q4i s VAL 140 Ca -0.34 0.37 -0.24 0.00 0.00 0.00 0.00 61.98 61.77 2q4i s VAL 140 Cb 0.11 -0.19 -0.02 0.00 0.00 0.00 0.00 36.38 36.28 2q4i s VAL 140 CO 0.55 0.18 0.75 -0.47 0.00 0.00 0.00 175.10 176.11 2q4i s TYR 141 N 2.02 3.44 -0.24 5.22 6.04 -1.26 -0.86 117.35 131.69 2q4i s TYR 141 Ca 0.03 1.16 0.12 0.00 0.04 0.00 0.00 57.07 58.42 2q4i s TYR 141 Cb -0.12 -2.91 0.50 0.00 -1.04 0.00 0.00 41.96 38.38 2q4i s TYR 141 CO -0.03 -0.16 1.42 -0.35 -1.54 0.00 0.00 175.55 174.89 2q4i n PRO 142 N 4.90 2.11 0.09 4.97 -0.04 -1.26 -4.95 135.00 140.83 2q4i n PRO 142 Ca 0.02 -3.04 -0.14 0.00 -0.04 0.00 0.00 63.50 60.30 2q4i n PRO 142 Cb 0.50 -1.80 -0.12 0.00 -0.04 0.00 0.00 33.50 32.03 2q4i n PRO 142 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 2q4i h THR 143 N 1.16 1.54 -3.65 0.52 1.35 -1.29 -3.41 112.91 109.13 2q4i h THR 143 Ca 0.14 -3.08 -0.52 0.00 -0.55 0.00 0.00 66.41 62.40 2q4i h THR 143 Cb 1.54 2.88 -0.32 0.00 -1.73 0.00 0.00 68.15 70.51 2q4i h THR 143 CO 0.30 0.89 -0.82 -0.54 -0.25 0.00 0.00 175.52 175.11 2q4i s LYS 144 N -2.73 1.63 0.04 4.72 1.02 -0.21 0.13 119.74 124.35 2q4i s LYS 144 Ca -0.03 -0.47 0.04 0.00 0.02 0.00 0.00 55.97 55.52 2q4i s LYS 144 Cb 0.08 -1.39 -0.02 0.00 -0.52 0.00 0.00 37.83 35.98 2q4i s LYS 144 CO 0.87 0.12 -0.11 -0.51 -0.92 0.00 0.00 175.35 174.80 2q4i s LEU 145 N 0.36 2.21 -0.02 3.17 1.02 -0.63 -2.35 118.68 122.44 2q4i s LEU 145 Ca -0.09 -0.49 0.07 0.00 0.02 0.00 0.00 54.13 53.64 2q4i s LEU 145 Cb -0.13 -0.40 -0.02 0.00 0.02 0.00 0.00 46.19 45.66 2q4i s LEU 145 CO 0.03 -0.07 -0.24 0.12 0.02 0.00 0.00 176.35 176.21 2q4i s PHE 146 N -1.05 2.12 -0.01 0.29 5.36 -0.64 -0.93 117.98 123.12 2q4i s PHE 146 Ca -0.03 -0.41 0.03 0.00 -0.96 0.00 0.00 56.93 55.56 2q4i s PHE 146 Cb -0.08 -1.37 -0.01 0.00 -0.34 0.00 0.00 43.02 41.22 2q4i s PHE 146 CO 0.01 -0.05 -0.11 0.71 -1.46 0.00 0.00 175.22 174.33 2q4i s TYR 147 N -0.53 0.97 -0.23 10.12 2.02 0.13 -0.25 117.35 129.59 2q4i s TYR 147 Ca 0.08 -0.19 0.01 0.00 -0.37 0.00 0.00 57.07 56.60 2q4i s TYR 147 Cb -0.09 -0.63 0.06 0.00 -0.40 0.00 0.00 41.96 40.89 2q4i s TYR 147 CO -0.01 -0.03 -0.05 0.99 -1.57 0.00 0.00 175.55 174.88 2q4i s THR 148 N -0.17 1.48 0.11 -0.71 2.01 -0.56 -0.76 115.64 117.03 2q4i s THR 148 Ca 0.03 -1.14 -0.23 0.00 0.31 0.00 0.00 61.69 60.66 2q4i s THR 148 Cb -0.05 -1.73 -0.07 0.00 0.01 0.00 0.00 72.50 70.66 2q4i s THR 148 CO -0.00 -0.07 0.68 -0.36 -0.69 0.00 0.00 174.62 174.18 2q4i s PHE 149 N 1.43 3.85 -0.93 4.92 0.08 -0.27 -1.36 117.98 125.69 2q4i s PHE 149 Ca -0.05 1.46 -0.07 0.00 0.12 0.00 0.00 56.93 58.39 2q4i s PHE 149 Cb -0.18 -2.66 0.23 0.00 -0.57 0.00 0.00 43.02 39.84 2q4i s PHE 149 CO -0.06 0.52 0.86 0.71 -0.10 0.00 0.00 175.22 177.14 2q4i s TYR 150 N -1.01 3.95 0.02 0.36 2.02 -0.69 -2.03 117.35 119.98 2q4i s TYR 150 Ca 0.33 -2.69 -0.29 0.00 -0.37 0.00 0.00 57.07 54.05 2q4i s TYR 150 Cb -0.21 -3.56 -0.04 0.00 -0.40 0.00 0.00 41.96 37.75 2q4i s TYR 150 CO 0.23 -0.87 0.93 -0.51 -1.57 0.00 0.00 175.55 173.75 2q4i s LEU 151 N -0.90 4.40 0.23 -1.29 1.43 -1.18 -4.10 118.68 117.28 2q4i s LEU 151 Ca 0.26 1.62 0.08 0.00 -1.03 0.00 0.00 54.13 55.06 2q4i s LEU 151 Cb -0.10 -3.49 -0.05 0.00 0.03 0.00 0.00 46.19 42.58 2q4i s LEU 151 CO -0.09 -0.17 -0.12 -0.54 0.23 0.00 0.00 176.35 175.65 2q4i s LYS 152 N 0.64 1.40 0.00 1.70 1.02 -0.75 -0.08 119.74 123.68 2q4i s LYS 152 Ca 0.48 -1.65 0.00 0.00 0.02 0.00 0.00 55.97 54.82 2q4i s LYS 152 Cb -0.21 -1.16 0.00 0.00 -0.52 0.00 0.00 37.83 35.94 2q4i s LYS 152 CO 0.27 0.15 0.00 0.41 -0.92 0.00 0.00 175.35 175.26 2q4i n GLY 153 N -0.44 0.84 3.80 -3.33 0.00 -1.26 -1.73 105.19 103.06 2q4i n GLY 153 Ca -0.07 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.61 2q4i n GLY 153 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2q4i s LEU 154 N 0.00 3.80 0.24 0.99 1.02 -1.26 -4.42 118.68 119.06 2q4i s LEU 154 Ca 0.00 1.93 0.03 0.00 0.02 0.00 0.00 54.13 56.12 2q4i s LEU 154 Cb 0.00 -4.56 0.28 0.00 0.02 0.00 0.00 46.19 41.93 2q4i s LEU 154 CO 0.00 -0.85 1.59 0.00 0.02 0.00 0.00 176.35 177.11 2q4i h ALA 155 N 1.41 0.89 -2.57 4.21 0.00 -1.80 -3.47 119.26 117.94 2q4i h ALA 155 Ca -0.49 -0.50 -0.20 0.00 0.00 0.00 0.00 54.91 53.72 2q4i h ALA 155 Cb 1.22 -0.09 -0.14 0.00 0.00 0.00 0.00 17.79 18.78 2q4i h ALA 155 CO 0.59 0.68 -0.56 -0.80 0.00 0.00 0.00 179.25 179.15 2q4i s ASN 156 N -6.89 0.17 0.56 0.00 -0.87 -1.26 -5.13 114.94 101.51 2q4i s ASN 156 Ca -0.05 -1.26 -0.21 0.00 -1.57 0.00 0.00 52.86 49.77 2q4i s ASN 156 Cb 0.12 0.38 -0.04 0.00 -0.02 0.00 0.00 41.25 41.69 2q4i s ASN 156 CO 0.80 -0.84 1.34 -1.81 -2.57 0.00 0.00 177.10 174.02 2q4i s ASP 157 N -3.10 5.20 0.61 -1.22 1.01 -1.26 -4.97 116.67 112.93 2q4i s ASP 157 Ca 0.32 2.71 -0.17 0.00 0.71 0.00 0.00 52.55 56.12 2q4i s ASP 157 Cb 0.06 -2.63 -0.03 0.00 1.01 0.00 0.00 42.92 41.34 2q4i s ASP 157 CO 0.08 -1.61 1.11 -0.76 0.21 0.00 0.00 175.17 174.20 2q4i s LEU 158 N -3.65 3.54 0.29 1.23 1.43 -1.26 -4.95 118.68 115.31 2q4i s LEU 158 Ca 0.73 2.06 -0.29 0.00 -1.03 0.00 0.00 54.13 55.59 2q4i s LEU 158 Cb -0.39 -4.56 -0.13 0.00 0.03 0.00 0.00 46.19 41.14 2q4i s LEU 158 CO 0.45 -1.43 1.26 -2.65 0.23 0.00 0.00 176.35 174.21 2q4i n PRO 159 N -1.94 1.88 -0.10 1.29 -0.02 -1.26 -4.86 135.00 129.98 2q4i n PRO 159 Ca 0.11 0.66 0.09 0.00 -2.02 0.00 0.00 63.50 62.34 2q4i n PRO 159 Cb 0.52 -2.22 0.43 0.00 -0.02 0.00 0.00 33.50 32.21 2q4i n PRO 159 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 2q4i h LEU 160 N 3.02 0.49 -0.32 2.45 3.38 -1.97 -1.14 115.31 121.21 2q4i h LEU 160 Ca -0.44 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.53 2q4i h LEU 160 Cb 1.30 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.94 2q4i h LEU 160 CO 0.67 0.31 0.00 -1.84 0.09 0.00 0.00 178.44 177.67 2q4i n GLU 161 N -4.48 0.05 -0.00 1.13 0.28 -1.26 -1.46 120.64 114.90 2q4i n GLU 161 Ca 0.09 0.43 0.09 0.00 -0.16 0.00 0.00 57.16 57.61 2q4i n GLU 161 Cb 0.27 -1.62 -0.12 0.00 1.43 0.00 0.00 31.44 31.40 2q4i n GLU 161 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 2q4i n LEU 162 N -1.72 0.76 -0.60 -1.84 4.77 -0.44 -4.63 117.00 113.31 2q4i n LEU 162 Ca 0.01 -0.42 0.06 0.00 -0.03 0.00 0.00 56.01 55.63 2q4i n LEU 162 Cb 0.09 0.00 0.21 0.00 -2.33 0.00 0.00 43.42 41.39 2q4i n LEU 162 CO 0.09 0.19 0.36 0.35 -1.33 0.00 0.00 177.39 177.05 2q4i n THR 163 N -1.57 2.21 -1.92 -5.08 -2.24 -0.53 -4.44 114.28 100.70 2q4i n THR 163 Ca 0.02 -3.25 -0.34 0.00 -2.27 0.00 0.00 64.05 58.22 2q4i n THR 163 Cb 0.33 -0.24 0.04 0.00 -2.10 0.00 0.00 70.33 68.36 2q4i n THR 163 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2q4i s GLY 164 N -3.24 2.40 0.03 3.38 0.00 -1.22 -4.89 107.32 103.78 2q4i s GLY 164 Ca 0.38 0.73 -0.37 0.00 0.00 0.00 0.00 44.72 45.46 2q4i s GLY 164 CO -0.07 1.09 1.47 2.41 0.00 0.00 0.00 173.10 178.00 2q4i n THR 165 N -1.98 0.08 -1.28 0.90 -1.04 -1.26 -4.11 114.28 105.59 2q4i n THR 165 Ca 0.11 -0.01 -0.30 0.00 -2.04 0.00 0.00 64.05 61.81 2q4i n THR 165 Cb 0.51 -1.05 0.11 0.00 -1.82 0.00 0.00 70.33 68.08 2q4i n THR 165 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 2q4i s PRO 166 N 1.24 1.91 0.56 -2.82 0.04 -1.26 -4.04 135.00 130.63 2q4i s PRO 166 Ca 0.86 0.98 -0.17 0.00 0.04 0.00 0.00 61.00 62.71 2q4i s PRO 166 Cb -0.92 -1.87 -0.05 0.00 0.04 0.00 0.00 34.50 31.70 2q4i s PRO 166 CO 0.49 -1.83 1.05 0.08 0.04 0.00 0.00 177.00 176.82 2q4i s VAL 167 N -2.95 3.85 -0.05 -0.36 1.01 -0.27 -4.83 120.40 116.80 2q4i s VAL 167 Ca 0.62 0.95 -0.30 0.00 0.00 0.00 0.00 61.98 63.24 2q4i s VAL 167 Cb -0.17 -3.42 -0.04 0.00 0.00 0.00 0.00 36.38 32.74 2q4i s VAL 167 CO 0.56 -0.45 1.39 -2.84 0.00 0.00 0.00 175.10 173.76 2q4i s PRO 168 N -3.86 4.27 0.15 2.72 0.02 -1.26 -4.94 135.00 132.09 2q4i s PRO 168 Ca 0.64 1.91 -0.31 0.00 0.02 0.00 0.00 61.00 63.26 2q4i s PRO 168 Cb -0.16 -3.67 -0.11 0.00 0.02 0.00 0.00 34.50 30.59 2q4i s PRO 168 CO 0.32 -0.63 1.78 -1.25 -0.33 0.00 0.00 177.00 176.89 2q4i s PRO 169 N 2.84 4.14 0.13 5.54 0.04 -1.26 -4.90 135.00 141.52 2q4i s PRO 169 Ca 0.63 2.58 -0.25 0.00 0.04 0.00 0.00 61.00 64.00 2q4i s PRO 169 Cb -0.29 -3.41 0.07 0.00 0.04 0.00 0.00 34.50 30.91 2q4i s PRO 169 CO 0.24 -0.80 0.74 0.45 0.04 0.00 0.00 177.00 177.67 2q4i s SER 170 N 2.15 -0.42 0.00 6.66 0.15 -1.26 -5.03 113.70 115.95 2q4i s SER 170 Ca 0.78 -0.14 0.10 0.00 0.70 0.00 0.00 55.95 57.40 2q4i s SER 170 Cb -0.47 0.55 0.45 0.00 -1.71 0.00 0.00 66.02 64.84 2q4i s SER 170 CO 0.35 -0.92 1.33 2.29 1.20 0.00 0.00 173.24 177.48 2q4i n LYS 171 N -0.36 0.01 -0.51 5.44 2.85 -1.26 -3.01 118.16 121.32 2q4i n LYS 171 Ca -0.11 0.31 0.11 0.00 -1.05 0.00 0.00 58.31 57.56 2q4i n LYS 171 Cb 0.63 -1.50 0.34 0.00 -0.65 0.00 0.00 35.03 33.85 2q4i n LYS 171 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 2q4i n ASP 172 N -1.49 4.38 -4.82 -5.58 8.00 -1.26 -4.93 116.55 110.86 2q4i n ASP 172 Ca 0.03 -2.24 -0.32 0.00 0.71 0.00 0.00 54.79 52.97 2q4i n ASP 172 Cb 0.12 -0.54 0.03 0.00 -0.02 0.00 0.00 41.12 40.71 2q4i n ASP 172 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 2q4i s ILE 173 N -1.47 4.00 -0.07 0.53 -5.25 -1.16 -5.07 121.20 112.72 2q4i s ILE 173 Ca 0.50 0.79 -0.10 0.00 -0.99 0.00 0.00 60.65 60.84 2q4i s ILE 173 Cb 0.30 -3.43 0.02 0.00 2.95 0.00 0.00 42.46 42.30 2q4i s ILE 173 CO 0.29 -0.72 0.26 -1.61 -1.79 0.00 0.00 174.94 171.37 2q4i s GLU 174 N -4.60 0.42 0.82 0.37 0.41 -1.26 -5.10 118.70 109.76 2q4i s GLU 174 Ca 0.60 0.14 -0.13 0.00 -0.41 0.00 0.00 54.97 55.17 2q4i s GLU 174 Cb -0.14 0.20 0.09 0.00 -1.78 0.00 0.00 34.13 32.49 2q4i s GLU 174 CO 0.46 -0.08 1.19 -2.14 -0.49 0.00 0.00 175.26 174.20 2q4i s PRO 175 N -0.41 1.59 0.70 0.39 0.02 -1.26 -4.94 135.00 131.08 2q4i s PRO 175 Ca -0.05 1.71 -0.16 0.00 0.02 0.00 0.00 61.00 62.52 2q4i s PRO 175 Cb -0.04 -1.78 0.02 0.00 0.02 0.00 0.00 34.50 32.73 2q4i s PRO 175 CO 0.01 -2.24 1.24 0.00 -0.33 0.00 0.00 177.00 175.68 2q4i s ALA 176 N -2.24 2.20 0.21 -1.55 0.00 0.03 -4.76 121.76 115.66 2q4i s ALA 176 Ca 0.72 1.01 -0.10 0.00 0.00 0.00 0.00 51.96 53.59 2q4i s ALA 176 Cb -0.27 -3.51 0.29 0.00 0.00 0.00 0.00 23.12 19.63 2q4i s ALA 176 CO 0.51 -1.79 1.71 -1.35 0.00 0.00 0.00 175.76 174.85 2q4i h PRO 177 N 0.01 0.27 -0.28 0.00 0.11 -1.92 -1.97 132.00 128.22 2q4i h PRO 177 Ca -0.49 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 65.54 2q4i h PRO 177 Cb 1.31 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 32.35 2q4i h PRO 177 CO 0.51 0.18 -0.11 0.93 -0.21 0.00 0.00 178.00 179.29 2q4i h GLU 178 N 0.28 0.47 -0.11 1.05 3.07 -1.91 -1.43 114.58 115.98 2q4i h GLU 178 Ca 0.31 -0.13 -0.04 0.00 -0.50 0.00 0.00 59.36 59.01 2q4i h GLU 178 Cb 0.46 -0.05 -0.00 0.00 -0.84 0.00 0.00 28.75 28.31 2q4i h GLU 178 CO -0.39 0.58 -0.08 0.00 -1.40 0.00 0.00 179.01 177.72 2q4i h ALA 179 N 1.45 0.16 -0.71 3.43 0.00 -1.44 0.57 119.26 122.73 2q4i h ALA 179 Ca 0.08 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 2q4i h ALA 179 Cb 0.46 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 2q4i h ALA 179 CO 0.03 -0.03 0.44 0.87 0.00 0.00 0.00 179.25 180.56 2q4i h LYS 180 N -0.12 0.95 -0.01 0.00 1.57 -1.27 -2.54 116.57 115.14 2q4i h LYS 180 Ca 0.02 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 2q4i h LYS 180 Cb 0.57 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.67 2q4i h LYS 180 CO 0.02 0.65 -0.04 0.00 -0.57 0.00 0.00 179.45 179.51 2q4i n ALA 181 N -2.43 2.69 -3.22 3.86 0.00 -0.55 -4.97 120.51 115.88 2q4i n ALA 181 Ca 0.07 -0.32 -0.13 0.00 0.00 0.00 0.00 53.44 53.07 2q4i n ALA 181 Cb 0.06 -1.32 0.06 0.00 0.00 0.00 0.00 19.45 18.25 2q4i n ALA 181 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2q4i n LEU 182 N -0.53 -5.83 -4.88 0.00 4.77 0.18 -5.00 117.00 105.71 2q4i n LEU 182 Ca 0.19 -0.61 -0.21 0.00 -0.03 0.00 0.00 56.01 55.34 2q4i n LEU 182 Cb 0.26 -3.23 -0.03 0.00 -2.33 0.00 0.00 43.42 38.08 2q4i n LEU 182 CO 0.19 -0.09 -0.12 -1.61 -1.33 0.00 0.00 177.39 174.44 2q4i s GLU 183 N -4.18 3.11 0.19 3.23 2.02 0.16 -5.01 118.70 118.22 2q4i s GLU 183 Ca 0.39 -0.96 -0.11 0.00 0.02 0.00 0.00 54.97 54.31 2q4i s GLU 183 Cb -0.05 -2.68 0.12 0.00 0.10 0.00 0.00 34.13 31.61 2q4i s GLU 183 CO 0.74 0.39 1.81 -1.35 0.02 0.00 0.00 175.26 176.87 2q4i h PRO 184 N 1.36 0.94 0.00 0.39 0.11 -1.90 -0.22 132.00 132.68 2q4i h PRO 184 Ca -0.50 -0.11 0.00 0.00 0.11 0.00 0.00 66.00 65.51 2q4i h PRO 184 Cb 1.24 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.16 2q4i h PRO 184 CO 0.61 0.70 0.00 -1.13 -0.21 0.00 0.00 178.00 177.97 2q4i n SER 185 N -4.52 0.00 -0.47 -2.05 3.41 -1.26 -2.92 113.62 105.81 2q4i n SER 185 Ca 0.05 -0.67 0.05 0.00 -0.26 0.00 0.00 58.87 58.04 2q4i n SER 185 Cb 0.09 0.00 0.12 0.00 -0.26 0.00 0.00 64.21 64.16 2q4i n SER 185 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2q4i n GLY 186 N 0.32 3.06 3.30 5.00 0.00 -0.11 -4.86 105.19 111.90 2q4i n GLY 186 Ca 0.16 -0.38 -0.09 0.00 0.00 0.00 0.00 46.02 45.70 2q4i n GLY 186 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2q4i s VAL 187 N -1.28 0.09 0.50 1.61 -7.23 -1.08 -1.97 120.40 111.05 2q4i s VAL 187 Ca 0.19 -1.06 -0.02 0.00 -1.81 0.00 0.00 61.98 59.29 2q4i s VAL 187 Cb 0.12 -1.47 0.00 0.00 0.56 0.00 0.00 36.38 35.59 2q4i s VAL 187 CO 0.10 -0.42 0.75 0.27 -0.31 0.00 0.00 175.10 175.50 2q4i s ILE 188 N -3.88 3.87 0.26 -0.62 -4.36 -0.45 -4.83 121.20 111.18 2q4i s ILE 188 Ca 0.08 -0.32 -0.30 0.00 -0.26 0.00 0.00 60.65 59.85 2q4i s ILE 188 Cb 0.03 -3.47 -0.11 0.00 1.25 0.00 0.00 42.46 40.17 2q4i s ILE 188 CO -0.07 -0.38 1.53 -0.44 0.24 0.00 0.00 174.94 175.81 2q4i s SER 189 N -4.25 6.52 -1.46 4.36 0.01 -1.26 -2.29 113.70 115.33 2q4i s SER 189 Ca 0.50 2.78 -0.09 0.00 1.31 0.00 0.00 55.95 60.46 2q4i s SER 189 Cb -0.10 -2.62 0.04 0.00 0.21 0.00 0.00 66.02 63.54 2q4i s SER 189 CO 0.40 -0.81 0.85 0.59 0.41 0.00 0.00 173.24 174.68 2q4i n ASN 190 N 2.50 -5.49 -4.64 2.44 3.02 -1.26 -2.21 115.26 109.62 2q4i n ASN 190 Ca 0.08 -0.50 -0.47 0.00 -0.03 0.00 0.00 54.58 53.66 2q4i n ASN 190 Cb 0.39 -4.40 -0.04 0.00 -0.61 0.00 0.00 39.78 35.12 2q4i n ASN 190 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2q4i n TYR 191 N -4.61 1.93 -2.06 3.10 0.18 -0.97 -4.01 117.16 110.72 2q4i n TYR 191 Ca -0.02 0.46 -0.41 0.00 1.88 0.00 0.00 57.90 59.81 2q4i n TYR 191 Cb 0.57 -2.43 -0.02 0.00 -0.38 0.00 0.00 39.34 37.07 2q4i n TYR 191 CO 0.00 0.00 0.00 0.99 -2.08 0.00 0.00 176.86 175.77 2q4i s THR 192 N 0.37 2.63 0.00 -3.48 2.01 -1.19 -4.80 115.64 111.17 2q4i s THR 192 Ca 0.76 0.62 0.00 0.00 0.31 0.00 0.00 61.69 63.38 2q4i s THR 192 Cb -0.75 -3.39 0.00 0.00 0.01 0.00 0.00 72.50 68.36 2q4i s THR 192 CO 0.45 0.14 0.05 -3.20 -0.69 0.00 0.00 174.62 171.37