#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 0.02 -0.48 3.15 1.01 -1.26 -4.42 120.40 118.43 2q4i s VAL 21 Ca 0.00 -0.17 0.04 0.00 0.00 0.00 0.00 61.98 61.85 2q4i s VAL 21 Cb 0.00 -0.09 0.13 0.00 0.00 0.00 0.00 36.38 36.42 2q4i s VAL 21 CO 0.00 -0.09 0.23 -1.10 0.00 0.00 0.00 175.10 174.13 2q4i s GLN 22 N -0.27 1.76 0.31 2.72 -0.21 0.18 -4.92 119.66 119.24 2q4i s GLN 22 Ca -0.03 -2.39 -0.29 0.00 0.02 0.00 0.00 55.36 52.67 2q4i s GLN 22 Cb -0.02 -3.10 -0.12 0.00 1.00 0.00 0.00 33.01 30.77 2q4i s GLN 22 CO -0.00 -1.10 1.44 0.39 -2.12 0.00 0.00 175.29 173.90 2q4i n GLU 23 N 3.36 2.37 -3.63 2.91 1.02 -1.26 -3.12 120.64 122.29 2q4i n GLU 23 Ca 0.05 0.84 -0.26 0.00 -0.02 0.00 0.00 57.16 57.77 2q4i n GLU 23 Cb 0.34 -2.52 -0.17 0.00 -0.02 0.00 0.00 31.44 29.07 2q4i n GLU 23 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 2q4i s LEU 24 N -0.82 0.49 0.12 -4.62 2.96 -1.20 -4.95 118.68 110.67 2q4i s LEU 24 Ca 0.60 -0.68 0.04 0.00 -0.22 0.00 0.00 54.13 53.86 2q4i s LEU 24 Cb -0.55 -0.30 -0.04 0.00 0.50 0.00 0.00 46.19 45.80 2q4i s LEU 24 CO 0.56 -0.35 0.14 -0.44 -1.32 0.00 0.00 176.35 174.94 2q4i s SER 25 N 2.09 5.71 0.04 3.68 0.01 -1.26 0.20 113.70 124.17 2q4i s SER 25 Ca 0.02 -0.01 -0.17 0.00 1.31 0.00 0.00 55.95 57.09 2q4i s SER 25 Cb -0.16 -1.56 0.03 0.00 0.21 0.00 0.00 66.02 64.54 2q4i s SER 25 CO -0.10 0.11 0.40 0.68 0.41 0.00 0.00 173.24 174.73 2q4i s VAL 26 N -1.60 0.06 -0.17 3.43 -7.23 -0.05 -3.07 120.40 111.76 2q4i s VAL 26 Ca 0.31 -0.49 -0.04 0.00 -1.81 0.00 0.00 61.98 59.95 2q4i s VAL 26 Cb -0.11 -0.94 -0.02 0.00 0.56 0.00 0.00 36.38 35.86 2q4i s VAL 26 CO 0.24 -0.27 -0.03 -0.31 -0.31 0.00 0.00 175.10 174.42 2q4i s TYR 27 N -2.45 3.02 -0.23 2.82 2.02 -0.99 -0.58 117.35 120.96 2q4i s TYR 27 Ca -0.05 -0.40 -0.10 0.00 -0.37 0.00 0.00 57.07 56.15 2q4i s TYR 27 Cb -0.01 -2.00 -0.05 0.00 -0.40 0.00 0.00 41.96 39.50 2q4i s TYR 27 CO -0.02 -0.14 0.13 -2.00 -1.57 0.00 0.00 175.55 171.95 2q4i s GLU 28 N 0.64 4.01 -0.05 -0.62 2.12 0.12 -2.04 118.70 122.89 2q4i s GLU 28 Ca -0.02 -0.30 0.03 0.00 0.36 0.00 0.00 54.97 55.04 2q4i s GLU 28 Cb -0.14 -3.46 0.00 0.00 0.26 0.00 0.00 34.13 30.79 2q4i s GLU 28 CO 0.02 0.07 -0.13 0.42 -0.54 0.00 0.00 175.26 175.10 2q4i s ILE 29 N 0.99 1.16 -0.71 -3.70 1.01 -0.92 -0.60 121.20 118.43 2q4i s ILE 29 Ca 0.07 -0.54 -0.16 0.00 0.00 0.00 0.00 60.65 60.01 2q4i s ILE 29 Cb -0.13 -1.02 0.16 0.00 0.01 0.00 0.00 42.46 41.47 2q4i s ILE 29 CO 0.04 0.35 0.72 0.21 0.00 0.00 0.00 174.94 176.26 2q4i s ASN 30 N 0.28 6.47 0.00 3.58 3.84 -0.08 -2.36 114.94 126.68 2q4i s ASN 30 Ca -0.07 -2.11 0.00 0.00 0.21 0.00 0.00 52.86 50.89 2q4i s ASN 30 Cb -0.12 -2.25 0.00 0.00 -0.55 0.00 0.00 41.25 38.33 2q4i s ASN 30 CO 0.02 -0.82 0.69 -0.62 -2.79 0.00 0.00 177.10 173.58 2q4i n GLU 31 N 5.11 0.84 -0.61 0.43 1.02 -1.26 -4.82 120.64 121.34 2q4i n GLU 31 Ca 0.03 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.17 2q4i n GLU 31 Cb 0.44 -1.20 0.00 0.00 -0.02 0.00 0.00 31.44 30.66 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 0.40 0.00 -0.41 -4.62 4.77 -1.26 -4.60 117.00 111.28 2q4i n LEU 32 Ca 0.00 0.00 0.07 0.00 -0.03 0.00 0.00 56.01 56.05 2q4i n LEU 32 Cb 0.35 -0.50 0.18 0.00 -2.33 0.00 0.00 43.42 41.12 2q4i n LEU 32 CO 0.00 0.00 0.48 -0.90 -1.33 0.00 0.00 177.39 175.64 2q4i n ASP 33 N 1.77 2.10 -0.52 -1.43 5.75 -1.26 -4.54 116.55 118.43 2q4i n ASP 33 Ca 0.00 -3.52 0.06 0.00 -0.01 0.00 0.00 54.79 51.33 2q4i n ASP 33 Cb 0.00 -0.49 0.12 0.00 -1.03 0.00 0.00 41.12 39.72 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 -1.24 0.95 -1.82 0.11 1.74 -1.26 -4.96 116.66 110.18 2q4i n ARG 34 Ca 0.18 -2.42 -0.20 0.00 -0.77 0.00 0.00 57.85 54.64 2q4i n ARG 34 Cb 0.69 -1.13 -0.07 0.00 -1.02 0.00 0.00 32.46 30.94 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 -0.80 -0.31 -4.46 -1.55 8.25 -1.26 -4.89 115.22 110.21 2q4i n HIS 35 Ca 0.12 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.28 2q4i n HIS 35 Cb 0.74 -3.56 -0.12 0.00 1.12 0.00 0.00 29.99 28.17 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 -2.54 3.89 0.97 0.41 0.15 -1.26 -4.23 113.70 111.09 2q4i s SER 36 Ca 0.00 -0.49 -0.16 0.00 0.70 0.00 0.00 55.95 56.00 2q4i s SER 36 Cb 0.00 -0.60 0.20 0.00 -1.71 0.00 0.00 66.02 63.91 2q4i s SER 36 CO 0.00 0.21 1.29 -2.16 1.20 0.00 0.00 173.24 173.78 2q4i s PRO 37 N -1.82 0.55 -0.32 5.44 0.04 -1.26 -4.75 135.00 132.87 2q4i s PRO 37 Ca 0.17 -0.33 0.00 0.00 0.04 0.00 0.00 61.00 60.89 2q4i s PRO 37 Cb -0.11 -1.83 0.10 0.00 0.04 0.00 0.00 34.50 32.71 2q4i s PRO 37 CO 0.08 -2.49 0.09 0.21 0.04 0.00 0.00 177.00 174.94 2q4i s LYS 38 N -5.81 0.91 -0.06 4.56 2.47 -1.15 -5.06 119.74 115.60 2q4i s LYS 38 Ca 0.73 -1.30 -0.27 0.00 -1.56 0.00 0.00 55.97 53.57 2q4i s LYS 38 Cb -0.05 -2.28 -0.03 0.00 -1.46 0.00 0.00 37.83 34.01 2q4i s LYS 38 CO 0.53 -0.98 0.85 0.42 0.16 0.00 0.00 175.35 176.32 2q4i s ILE 39 N 1.40 4.93 -0.44 5.43 1.01 -1.26 -3.86 121.20 128.41 2q4i s ILE 39 Ca 0.10 1.75 -0.08 0.00 0.00 0.00 0.00 60.65 62.42 2q4i s ILE 39 Cb -0.18 -4.18 0.10 0.00 0.01 0.00 0.00 42.46 38.21 2q4i s ILE 39 CO -0.20 0.16 0.28 -0.76 0.00 0.00 0.00 174.94 174.42 2q4i s LEU 40 N 1.21 5.39 -0.08 2.97 1.43 -0.81 -5.00 118.68 123.78 2q4i s LEU 40 Ca 0.44 -1.79 -0.21 0.00 -1.03 0.00 0.00 54.13 51.54 2q4i s LEU 40 Cb -0.19 -1.96 -0.04 0.00 0.03 0.00 0.00 46.19 44.03 2q4i s LEU 40 CO 0.21 -0.60 0.59 -0.75 0.23 0.00 0.00 176.35 176.03 2q4i s LYS 41 N 1.33 4.38 0.00 1.70 2.47 -1.26 -2.14 119.74 126.23 2q4i s LYS 41 Ca 0.05 0.68 0.00 0.00 -1.56 0.00 0.00 55.97 55.14 2q4i s LYS 41 Cb -0.24 -3.43 0.00 0.00 -1.46 0.00 0.00 37.83 32.69 2q4i s LYS 41 CO -0.01 0.14 0.00 0.09 0.16 0.00 0.00 175.35 175.73 2q4i n ASN 42 N 3.63 0.74 -4.66 1.43 3.02 -1.26 -4.98 115.26 113.17 2q4i n ASN 42 Ca -0.04 0.00 -0.46 0.00 -0.03 0.00 0.00 54.58 54.05 2q4i n ASN 42 Cb 0.51 0.02 -0.04 0.00 -0.61 0.00 0.00 39.78 39.66 2q4i n ASN 42 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2q4i n ALA 43 N -1.48 1.11 -1.39 5.41 0.00 -1.26 -4.78 120.51 118.11 2q4i n ALA 43 Ca 0.00 0.44 -0.39 0.00 0.00 0.00 0.00 53.44 53.49 2q4i n ALA 43 Cb 0.09 -2.30 -0.02 0.00 0.00 0.00 0.00 19.45 17.21 2q4i n ALA 43 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2q4i n PHE 44 N 2.85 2.66 -3.74 0.00 3.72 -1.26 -4.79 117.46 116.90 2q4i n PHE 44 Ca 0.15 -2.65 -0.14 0.00 -0.05 0.00 0.00 57.45 54.76 2q4i n PHE 44 Cb 0.29 -2.27 -0.09 0.00 -0.94 0.00 0.00 39.48 36.48 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 3.33 -0.27 0.00 4.37 0.15 -1.26 -5.13 113.70 114.88 2q4i s SER 45 Ca 0.54 0.28 0.00 0.00 0.70 0.00 0.00 55.95 57.46 2q4i s SER 45 Cb 0.15 0.43 0.00 0.00 -1.71 0.00 0.00 66.02 64.88 2q4i s SER 45 CO -0.03 -0.40 0.76 0.18 1.20 0.00 0.00 173.24 174.95 2q4i n LEU 46 N 1.56 2.25 -4.76 3.45 4.77 -1.26 -4.93 117.00 118.09 2q4i n LEU 46 Ca -0.20 -1.12 -0.39 0.00 -0.03 0.00 0.00 56.01 54.28 2q4i n LEU 46 Cb 0.56 -0.39 -0.06 0.00 -2.33 0.00 0.00 43.42 41.21 2q4i n LEU 46 CO 0.20 0.38 0.66 -0.36 -1.33 0.00 0.00 177.39 176.95 2q4i s PHE 48 N 0.30 3.84 0.24 -1.77 0.08 -1.26 -5.22 117.98 114.19 2q4i s PHE 48 Ca 0.00 1.85 -0.14 0.00 0.12 0.00 0.00 56.93 58.76 2q4i s PHE 48 Cb 0.00 -2.99 0.00 0.00 -0.57 0.00 0.00 43.02 39.46 2q4i s PHE 48 CO 0.00 0.27 0.50 0.20 -0.10 0.00 0.00 175.22 176.10 2q4i s GLY 49 N -1.31 0.36 0.22 4.36 0.00 -1.26 -3.89 107.32 105.81 2q4i s GLY 49 Ca 0.45 -0.71 -0.32 0.00 0.00 0.00 0.00 44.72 44.14 2q4i s GLY 49 CO 0.30 -0.51 1.37 -0.10 0.00 0.00 0.00 173.10 174.16 2q4i n LEU 50 N -0.38 2.83 0.00 0.66 7.94 -1.26 -1.76 117.00 125.04 2q4i n LEU 50 Ca -0.03 1.14 0.00 0.00 -1.11 0.00 0.00 56.01 56.00 2q4i n LEU 50 Cb 0.62 -1.39 0.00 0.00 0.53 0.00 0.00 43.42 43.18 2q4i n LEU 50 CO 0.21 -0.62 0.00 0.61 -1.11 0.00 0.00 177.39 176.48 2q4i n GLY 51 N 2.19 2.60 3.77 -3.96 0.00 -1.26 -4.11 105.19 104.42 2q4i n GLY 51 Ca 0.12 -0.91 -0.38 0.00 0.00 0.00 0.00 46.02 44.85 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 -0.15 7.12 0.20 1.61 1.01 -0.72 -4.27 116.67 121.46 2q4i s ASP 52 Ca 0.00 2.08 0.10 0.00 0.71 0.00 0.00 52.55 55.44 2q4i s ASP 52 Cb 0.00 -2.60 -0.04 0.00 1.01 0.00 0.00 42.92 41.28 2q4i s ASP 52 CO 0.00 -0.24 -0.19 -0.76 0.21 0.00 0.00 175.17 174.19 2q4i s LEU 53 N -1.98 2.48 -0.41 1.23 1.43 -0.91 -2.12 118.68 118.40 2q4i s LEU 53 Ca 0.50 -0.92 0.09 0.00 -1.03 0.00 0.00 54.13 52.77 2q4i s LEU 53 Cb -0.25 -0.93 0.29 0.00 0.03 0.00 0.00 46.19 45.32 2q4i s LEU 53 CO 0.32 -0.01 0.72 0.52 0.23 0.00 0.00 176.35 178.14 2q4i n VAL 54 N 0.03 -0.33 -1.71 -1.59 0.31 -0.90 -1.93 118.33 112.20 2q4i n VAL 54 Ca -0.11 -3.44 -0.43 0.00 -0.01 0.00 0.00 64.34 60.35 2q4i n VAL 54 Cb 0.58 -0.43 -0.02 0.00 -0.91 0.00 0.00 33.84 33.06 2q4i n VAL 54 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 2q4i n PRO 55 N 0.98 2.41 -3.98 5.55 -0.02 -1.25 -3.52 135.00 135.16 2q4i n PRO 55 Ca 0.18 0.86 -0.09 0.00 -2.02 0.00 0.00 63.50 62.43 2q4i n PRO 55 Cb 0.61 -2.59 -0.11 0.00 -0.02 0.00 0.00 33.50 31.40 2q4i n PRO 55 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 2q4i s PHE 56 N -0.00 0.28 -0.11 6.00 -0.12 -0.66 -2.94 117.98 120.43 2q4i s PHE 56 Ca 0.66 -0.59 -0.07 0.00 -0.05 0.00 0.00 56.93 56.89 2q4i s PHE 56 Cb -0.56 -0.21 0.04 0.00 -0.63 0.00 0.00 43.02 41.66 2q4i s PHE 56 CO 0.49 -0.25 0.28 -0.08 -0.05 0.00 0.00 175.22 175.60 2q4i s THR 57 N -2.03 -0.03 0.16 -4.49 -1.32 -1.26 -1.76 115.64 104.91 2q4i s THR 57 Ca -0.10 0.11 0.03 0.00 -1.21 0.00 0.00 61.69 60.51 2q4i s THR 57 Cb -0.05 -0.42 -0.05 0.00 -1.51 0.00 0.00 72.50 70.47 2q4i s THR 57 CO -0.03 0.05 -0.03 0.20 -2.21 0.00 0.00 174.62 172.60 2q4i s ASN 58 N 1.08 1.38 0.51 8.08 0.01 -0.89 -4.68 114.94 120.44 2q4i s ASN 58 Ca -0.08 -1.11 -0.18 0.00 -0.71 0.00 0.00 52.86 50.77 2q4i s ASN 58 Cb -0.09 0.08 -0.07 0.00 0.41 0.00 0.00 41.25 41.58 2q4i s ASN 58 CO -0.08 -0.49 1.02 -0.54 -1.51 0.00 0.00 177.10 175.50 2q4i s LYS 59 N -3.86 3.76 -0.06 -0.60 1.02 -0.99 0.21 119.74 119.23 2q4i s LYS 59 Ca 0.21 1.21 0.05 0.00 0.02 0.00 0.00 55.97 57.45 2q4i s LYS 59 Cb 0.05 -2.10 -0.00 0.00 -0.52 0.00 0.00 37.83 35.26 2q4i s LYS 59 CO 0.02 -0.45 -0.20 -1.17 -0.92 0.00 0.00 175.35 172.64 2q4i s LEU 60 N -3.82 1.96 0.27 3.17 2.96 -0.61 -2.16 118.68 120.46 2q4i s LEU 60 Ca 0.64 -0.42 0.09 0.00 -0.22 0.00 0.00 54.13 54.22 2q4i s LEU 60 Cb -0.14 -1.13 -0.05 0.00 0.50 0.00 0.00 46.19 45.37 2q4i s LEU 60 CO 0.25 0.17 -0.13 -0.31 -1.32 0.00 0.00 176.35 175.02 2q4i s TYR 61 N 0.06 2.05 0.84 5.38 2.02 -0.86 -1.04 117.35 125.80 2q4i s TYR 61 Ca -0.06 -0.52 -0.11 0.00 -0.37 0.00 0.00 57.07 56.01 2q4i s TYR 61 Cb -0.13 -1.02 0.10 0.00 -0.40 0.00 0.00 41.96 40.51 2q4i s TYR 61 CO 0.03 0.48 1.10 0.95 -1.57 0.00 0.00 175.55 176.55 2q4i s THR 62 N -2.79 2.85 0.49 -0.71 -4.23 0.39 -2.34 115.64 109.30 2q4i s THR 62 Ca 0.28 0.27 0.17 0.00 -1.18 0.00 0.00 61.69 61.24 2q4i s THR 62 Cb -0.00 -2.62 0.24 0.00 1.34 0.00 0.00 72.50 71.46 2q4i s THR 62 CO 0.12 -0.36 2.09 1.23 -0.54 0.00 0.00 174.62 177.16 2q4i h GLY 63 N -1.44 0.00 0.50 3.99 0.00 -1.85 -0.66 103.07 103.61 2q4i h GLY 63 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.88 2q4i h GLY 63 CO 0.49 0.00 -0.04 2.09 0.00 0.00 0.00 176.54 179.09 2q4i n ASP 64 N -4.32 0.63 -0.12 0.19 5.68 -1.26 -1.82 116.55 115.52 2q4i n ASP 64 Ca -0.03 -1.02 -0.02 0.00 -0.50 0.00 0.00 54.79 53.22 2q4i n ASP 64 Cb 0.17 -0.02 -0.01 0.00 -1.14 0.00 0.00 41.12 40.12 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 -0.61 0.43 0.12 -2.12 4.77 -0.25 -4.73 117.00 114.61 2q4i n LEU 65 Ca 0.19 0.04 0.12 0.00 -0.03 0.00 0.00 56.01 56.33 2q4i n LEU 65 Cb 0.24 -1.78 0.07 0.00 -2.33 0.00 0.00 43.42 39.62 2q4i n LEU 65 CO 0.19 -0.63 0.23 0.11 -1.33 0.00 0.00 177.39 175.96 2q4i h LYS 66 N 0.33 0.00 -4.70 3.23 1.57 -1.92 0.36 116.57 115.44 2q4i h LYS 66 Ca -0.03 0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 58.41 2q4i h LYS 66 Cb 0.65 0.00 -0.24 0.00 0.08 0.00 0.00 32.23 32.72 2q4i h LYS 66 CO 0.05 0.00 -0.76 0.15 -0.57 0.00 0.00 179.45 178.32 2q4i s LYS 67 N -3.30 0.61 -0.11 3.15 1.02 -1.26 -4.27 119.74 115.58 2q4i s LYS 67 Ca 0.02 -0.59 -0.21 0.00 0.02 0.00 0.00 55.97 55.21 2q4i s LYS 67 Cb 0.10 -0.51 -0.04 0.00 -0.52 0.00 0.00 37.83 36.86 2q4i s LYS 67 CO 0.75 0.12 0.60 0.50 -0.92 0.00 0.00 175.35 176.41 2q4i s ARG 68 N -1.02 4.35 -0.10 1.68 6.06 0.14 -0.46 118.95 129.61 2q4i s ARG 68 Ca -0.03 0.66 0.14 0.00 -2.50 0.00 0.00 55.73 54.01 2q4i s ARG 68 Cb -0.07 -3.47 -0.21 0.00 0.06 0.00 0.00 34.95 31.26 2q4i s ARG 68 CO 0.00 0.03 0.17 1.33 -2.50 0.00 0.00 175.30 174.33 2q4i n VAL 69 N 3.94 0.64 0.00 7.11 0.24 -0.20 -2.36 118.33 127.69 2q4i n VAL 69 Ca -0.03 -0.54 0.00 0.00 -2.04 0.00 0.00 64.34 61.73 2q4i n VAL 69 Cb 0.51 -0.33 0.00 0.00 -1.47 0.00 0.00 33.84 32.55 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 1.89 -0.57 3.52 7.63 0.00 -1.15 -1.66 105.19 114.84 2q4i n GLY 70 Ca -0.16 0.11 -0.13 0.00 0.00 0.00 0.00 46.02 45.84 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 0.00 0.00 0.19 -0.61 -4.36 -1.23 -1.57 121.20 113.62 2q4i s ILE 71 Ca 0.00 -1.54 0.07 0.00 -0.26 0.00 0.00 60.65 58.91 2q4i s ILE 71 Cb 0.00 -2.56 -0.04 0.00 1.25 0.00 0.00 42.46 41.11 2q4i s ILE 71 CO 0.00 0.00 0.07 0.42 0.24 0.00 0.00 174.94 175.67 2q4i s THR 72 N -3.26 4.06 -0.28 8.37 -4.23 0.58 -1.92 115.64 118.96 2q4i s THR 72 Ca 0.28 -1.33 -0.02 0.00 -1.18 0.00 0.00 61.69 59.44 2q4i s THR 72 Cb -0.00 -3.08 0.17 0.00 1.34 0.00 0.00 72.50 70.93 2q4i s THR 72 CO 0.17 -0.16 0.54 0.00 -0.54 0.00 0.00 174.62 174.64 2q4i s ALA 73 N -1.83 -1.93 0.02 3.99 0.00 -0.78 -2.11 121.76 119.13 2q4i s ALA 73 Ca 0.30 1.63 -0.21 0.00 0.00 0.00 0.00 51.96 53.67 2q4i s ALA 73 Cb -0.09 -2.01 0.07 0.00 0.00 0.00 0.00 23.12 21.09 2q4i s ALA 73 CO 0.21 -1.28 0.98 0.41 0.00 0.00 0.00 175.76 176.08 2q4i n GLY 74 N 5.41 0.40 3.27 0.00 0.00 -0.72 -0.39 105.19 113.16 2q4i n GLY 74 Ca -0.02 -1.03 -0.32 0.00 0.00 0.00 0.00 46.02 44.65 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 2.20 -0.37 0.99 2.96 -0.15 -1.65 118.68 122.65 2q4i s LEU 75 Ca 0.23 -0.50 -0.08 0.00 -0.22 0.00 0.00 54.13 53.56 2q4i s LEU 75 Cb -0.01 -1.43 0.05 0.00 0.50 0.00 0.00 46.19 45.30 2q4i s LEU 75 CO 0.01 0.19 0.17 0.00 -1.32 0.00 0.00 176.35 175.39 2q4i s VAL 77 N 1.43 4.66 0.25 0.00 1.01 0.33 -2.12 120.40 125.96 2q4i s VAL 77 Ca 0.00 1.02 -0.30 0.00 0.00 0.00 0.00 61.98 62.70 2q4i s VAL 77 Cb -0.20 -4.27 -0.11 0.00 0.00 0.00 0.00 36.38 31.80 2q4i s VAL 77 CO 0.03 -0.49 1.55 -0.69 0.00 0.00 0.00 175.10 175.50 2q4i s VAL 78 N 3.29 2.37 -0.25 2.92 1.01 -0.90 -1.34 120.40 127.49 2q4i s VAL 78 Ca 0.35 0.30 -0.01 0.00 0.00 0.00 0.00 61.98 62.61 2q4i s VAL 78 Cb -0.13 -3.19 -0.15 0.00 0.00 0.00 0.00 36.38 32.91 2q4i s VAL 78 CO 0.18 0.04 -0.24 -0.38 0.00 0.00 0.00 175.10 174.70 2q4i n ILE 79 N 2.73 1.41 -3.62 2.22 2.08 -0.28 -4.20 119.36 119.71 2q4i n ILE 79 Ca 0.09 -0.51 -0.05 0.00 0.56 0.00 0.00 62.75 62.85 2q4i n ILE 79 Cb 0.38 -1.46 -0.04 0.00 -0.75 0.00 0.00 39.64 37.78 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 -2.49 0.24 0.27 0.38 -1.05 -1.16 -4.14 118.70 110.75 2q4i s GLU 80 Ca -0.34 0.02 -0.22 0.00 -0.15 0.00 0.00 54.97 54.28 2q4i s GLU 80 Cb 0.10 0.11 -0.09 0.00 -0.44 0.00 0.00 34.13 33.81 2q4i s GLU 80 CO 0.55 -0.08 0.82 -1.58 0.95 0.00 0.00 175.26 175.91 2q4i s HIS 81 N -1.37 3.64 -0.41 4.83 5.65 -1.25 -2.12 115.29 124.26 2q4i s HIS 81 Ca 0.07 1.54 0.02 0.00 0.25 0.00 0.00 55.06 56.93 2q4i s HIS 81 Cb -0.01 -2.74 0.11 0.00 -1.18 0.00 0.00 32.58 28.76 2q4i s HIS 81 CO -0.05 0.26 0.15 0.08 -0.65 0.00 0.00 174.74 174.54 2q4i s VAL 82 N -1.60 2.69 0.10 0.89 1.01 0.20 -4.94 120.40 118.75 2q4i s VAL 82 Ca 0.47 -2.50 -0.14 0.00 0.00 0.00 0.00 61.98 59.81 2q4i s VAL 82 Cb -0.17 -2.90 -0.12 0.00 0.00 0.00 0.00 36.38 33.19 2q4i s VAL 82 CO 0.22 -0.68 1.35 1.55 0.00 0.00 0.00 175.10 177.54 2q4i h PRO 83 N 7.48 0.74 -0.02 2.72 0.13 -1.96 -0.76 132.00 140.33 2q4i h PRO 83 Ca -0.07 -0.50 0.01 0.00 -0.87 0.00 0.00 66.00 64.57 2q4i h PRO 83 Cb 1.00 0.07 -0.00 0.00 0.13 0.00 0.00 31.00 32.20 2q4i h PRO 83 CO 0.61 1.12 0.04 1.05 -0.23 0.00 0.00 178.00 180.59 2q4i h GLU 84 N 0.47 0.00 -0.12 0.86 9.09 -1.94 -0.26 114.58 122.68 2q4i h GLU 84 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 2q4i h GLU 84 Cb 1.13 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.23 2q4i h GLU 84 CO 0.11 0.00 0.00 1.63 0.05 0.00 0.00 179.01 180.80 2q4i n LYS 85 N -3.55 1.70 -3.90 1.06 4.76 -1.08 -5.00 118.16 112.15 2q4i n LYS 85 Ca -0.02 -1.71 -0.27 0.00 -2.87 0.00 0.00 58.31 53.44 2q4i n LYS 85 Cb 0.12 -1.36 0.01 0.00 -1.84 0.00 0.00 35.03 31.96 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 1.02 -4.37 -1.72 1.97 4.76 -0.11 -4.84 118.16 114.87 2q4i n LYS 86 Ca 0.12 0.52 -0.01 0.00 -2.87 0.00 0.00 58.31 56.07 2q4i n LYS 86 Cb 0.46 -5.05 0.00 0.00 -1.84 0.00 0.00 35.03 28.60 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 -1.71 1.39 3.58 0.72 0.00 -0.39 -4.95 105.19 103.83 2q4i n GLY 87 Ca -0.17 -0.99 -0.24 0.00 0.00 0.00 0.00 46.02 44.63 2q4i n GLY 87 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2q4i s GLU 88 N -2.01 2.07 -0.22 1.61 0.41 -1.26 0.60 118.70 119.90 2q4i s GLU 88 Ca 0.03 -1.53 0.02 0.00 -0.41 0.00 0.00 54.97 53.08 2q4i s GLU 88 Cb -0.01 -2.03 0.04 0.00 -1.78 0.00 0.00 34.13 30.36 2q4i s GLU 88 CO 0.01 0.36 -0.15 0.50 -0.49 0.00 0.00 175.26 175.49 2q4i s ARG 89 N -3.57 2.53 0.35 1.61 3.52 -0.90 -0.87 118.95 121.61 2q4i s ARG 89 Ca 0.31 -1.06 0.07 0.00 -0.13 0.00 0.00 55.73 54.92 2q4i s ARG 89 Cb -0.06 -2.69 -0.03 0.00 -1.56 0.00 0.00 34.95 30.62 2q4i s ARG 89 CO 0.18 -0.40 0.31 -0.06 -0.81 0.00 0.00 175.30 174.53 2q4i s PHE 90 N 1.22 2.87 -0.22 5.12 0.08 0.55 -1.13 117.98 126.47 2q4i s PHE 90 Ca -0.02 -0.34 -0.04 0.00 0.12 0.00 0.00 56.93 56.66 2q4i s PHE 90 Cb -0.16 -1.87 -0.01 0.00 -0.57 0.00 0.00 43.02 40.41 2q4i s PHE 90 CO -0.09 0.12 -0.04 -2.00 -0.10 0.00 0.00 175.22 173.11 2q4i s GLU 91 N -4.02 3.34 0.07 0.44 2.56 -0.45 -2.25 118.70 118.38 2q4i s GLU 91 Ca 0.42 -0.65 0.04 0.00 0.00 0.00 0.00 54.97 54.79 2q4i s GLU 91 Cb -0.05 -3.01 -0.04 0.00 2.00 0.00 0.00 34.13 33.03 2q4i s GLU 91 CO 0.27 -0.21 -0.01 0.00 -0.56 0.00 0.00 175.26 174.75 2q4i s ALA 92 N 1.47 3.25 -0.29 6.30 0.00 0.14 -0.51 121.76 132.12 2q4i s ALA 92 Ca 0.06 -1.08 0.02 0.00 0.00 0.00 0.00 51.96 50.95 2q4i s ALA 92 Cb -0.14 -1.20 0.17 0.00 0.00 0.00 0.00 23.12 21.94 2q4i s ALA 92 CO -0.03 0.68 0.44 0.99 0.00 0.00 0.00 175.76 177.84 2q4i s THR 93 N -1.23 -0.70 0.26 0.00 2.01 -0.45 -0.38 115.64 115.16 2q4i s THR 93 Ca 0.24 -0.23 -0.14 0.00 0.31 0.00 0.00 61.69 61.87 2q4i s THR 93 Cb -0.12 -0.98 0.00 0.00 0.01 0.00 0.00 72.50 71.42 2q4i s THR 93 CO 0.16 -0.22 0.53 -0.72 -0.69 0.00 0.00 174.62 173.67 2q4i s TYR 94 N 2.60 0.31 0.18 4.92 -0.85 -0.59 -0.98 117.35 122.93 2q4i s TYR 94 Ca 0.10 -0.69 0.10 0.00 -0.52 0.00 0.00 57.07 56.07 2q4i s TYR 94 Cb -0.12 0.28 -0.04 0.00 0.38 0.00 0.00 41.96 42.46 2q4i s TYR 94 CO -0.28 -1.07 -0.19 -1.12 -1.52 0.00 0.00 175.55 171.37 2q4i s SER 95 N -3.02 3.74 -0.25 -0.18 0.01 0.47 -0.37 113.70 114.12 2q4i s SER 95 Ca 0.21 -0.74 -0.01 0.00 1.31 0.00 0.00 55.95 56.73 2q4i s SER 95 Cb -0.02 -0.44 0.03 0.00 0.21 0.00 0.00 66.02 65.81 2q4i s SER 95 CO 0.09 0.12 -0.08 -0.36 0.41 0.00 0.00 173.24 173.43 2q4i s PHE 96 N -1.60 3.09 -0.10 2.43 0.08 -0.25 -1.86 117.98 119.77 2q4i s PHE 96 Ca 0.22 -1.74 -0.06 0.00 0.12 0.00 0.00 56.93 55.47 2q4i s PHE 96 Cb -0.09 -2.03 -0.04 0.00 -0.57 0.00 0.00 43.02 40.30 2q4i s PHE 96 CO 0.11 -0.77 0.14 0.71 -0.10 0.00 0.00 175.22 175.31 2q4i s TYR 97 N 1.27 3.56 -0.33 0.36 2.02 -0.81 -1.31 117.35 122.11 2q4i s TYR 97 Ca -0.02 0.48 0.13 0.00 -0.37 0.00 0.00 57.07 57.29 2q4i s TYR 97 Cb -0.17 -1.91 0.46 0.00 -0.40 0.00 0.00 41.96 39.94 2q4i s TYR 97 CO -0.05 0.71 1.10 1.19 -1.57 0.00 0.00 175.55 176.92 2q4i n PHE 98 N 1.83 2.23 -3.06 2.71 3.72 -0.66 -3.86 117.46 120.38 2q4i n PHE 98 Ca -0.19 -2.56 0.00 0.00 -0.05 0.00 0.00 57.45 54.66 2q4i n PHE 98 Cb 0.55 -0.25 0.00 0.00 -0.94 0.00 0.00 39.48 38.83 2q4i n PHE 98 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2q4i n GLY 99 N -0.49 3.01 0.00 1.37 0.00 -0.66 -2.08 105.19 106.34 2q4i n GLY 99 Ca 0.27 -0.27 0.04 0.00 0.00 0.00 0.00 46.02 46.06 2q4i n GLY 99 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2q4i n ASP 100 N 1.82 0.00 -0.22 1.61 8.00 -1.04 -2.02 116.55 124.70 2q4i n ASP 100 Ca 0.00 -0.65 0.12 0.00 0.71 0.00 0.00 54.79 54.97 2q4i n ASP 100 Cb 0.00 0.00 0.19 0.00 -0.02 0.00 0.00 41.12 41.29 2q4i n ASP 100 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 2q4i n TYR 101 N -0.80 0.00 0.00 1.24 4.01 -0.89 -4.91 117.16 115.82 2q4i n TYR 101 Ca 0.07 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.81 2q4i n TYR 101 Cb 0.03 -0.11 0.00 0.00 -0.31 0.00 0.00 39.34 38.96 2q4i n TYR 101 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2q4i n GLY 102 N 1.42 -0.99 3.44 2.72 0.00 -0.86 -2.51 105.19 108.41 2q4i n GLY 102 Ca 0.09 -2.05 -0.10 0.00 0.00 0.00 0.00 46.02 43.96 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 0.00 0.06 0.20 1.61 -3.43 -1.15 -1.66 115.29 110.92 2q4i s HIS 103 Ca 0.00 -0.41 0.10 0.00 -0.80 0.00 0.00 55.06 53.94 2q4i s HIS 103 Cb 0.00 0.22 -0.04 0.00 -1.43 0.00 0.00 32.58 31.33 2q4i s HIS 103 CO 0.00 -0.83 -0.13 -0.51 -2.00 0.00 0.00 174.74 171.27 2q4i s LEU 104 N -2.90 2.84 0.03 5.38 1.43 -0.43 0.11 118.68 125.14 2q4i s LEU 104 Ca 0.11 -0.69 0.04 0.00 -1.03 0.00 0.00 54.13 52.57 2q4i s LEU 104 Cb 0.01 -1.51 -0.02 0.00 0.03 0.00 0.00 46.19 44.70 2q4i s LEU 104 CO -0.02 0.09 -0.12 -0.55 0.23 0.00 0.00 176.35 175.97 2q4i s SER 105 N -2.93 1.45 0.07 2.29 0.15 0.30 -1.09 113.70 113.94 2q4i s SER 105 Ca 0.25 -0.39 0.02 0.00 0.70 0.00 0.00 55.95 56.53 2q4i s SER 105 Cb -0.08 -0.10 -0.03 0.00 -1.71 0.00 0.00 66.02 64.10 2q4i s SER 105 CO 0.14 0.04 -0.08 0.68 1.20 0.00 0.00 173.24 175.22 2q4i s VAL 106 N -0.72 0.66 -0.20 4.45 -7.23 0.51 0.09 120.40 117.95 2q4i s VAL 106 Ca 0.01 -1.50 -0.03 0.00 -1.81 0.00 0.00 61.98 58.65 2q4i s VAL 106 Cb -0.07 -1.14 0.06 0.00 0.56 0.00 0.00 36.38 35.79 2q4i s VAL 106 CO 0.01 -0.60 0.06 -1.58 -0.31 0.00 0.00 175.10 172.68 2q4i s GLN 107 N -2.64 0.47 0.13 4.82 0.74 -0.66 -1.54 119.66 120.97 2q4i s GLN 107 Ca 0.01 -0.37 -0.15 0.00 0.05 0.00 0.00 55.36 54.89 2q4i s GLN 107 Cb -0.03 -1.97 0.05 0.00 1.10 0.00 0.00 33.01 32.16 2q4i s GLN 107 CO -0.02 -0.69 0.74 0.41 -0.55 0.00 0.00 175.29 175.18 2q4i n GLY 108 N 5.11 0.79 3.74 2.59 0.00 0.49 -1.91 105.19 116.00 2q4i n GLY 108 Ca -0.08 -1.08 -0.39 0.00 0.00 0.00 0.00 46.02 44.47 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 -2.04 4.39 -0.28 1.61 0.04 -1.26 0.29 135.00 137.75 2q4i s PRO 109 Ca 0.17 0.83 -0.00 0.00 0.04 0.00 0.00 61.00 62.03 2q4i s PRO 109 Cb -0.02 -3.38 0.05 0.00 0.04 0.00 0.00 34.50 31.19 2q4i s PRO 109 CO 0.04 0.25 -0.04 -0.47 0.04 0.00 0.00 177.00 176.82 2q4i s TYR 110 N 0.18 3.23 -0.17 0.56 5.04 -0.95 -4.78 117.35 120.45 2q4i s TYR 110 Ca 0.34 -1.95 -0.02 0.00 -2.44 0.00 0.00 57.07 53.01 2q4i s TYR 110 Cb -0.18 -2.05 -0.01 0.00 0.35 0.00 0.00 41.96 40.07 2q4i s TYR 110 CO 0.18 -0.81 -0.09 -0.51 -1.34 0.00 0.00 175.55 172.98 2q4i s LEU 111 N 1.22 2.80 0.00 6.97 1.43 -1.26 -0.33 118.68 129.51 2q4i s LEU 111 Ca -0.05 -0.36 0.25 0.00 -1.03 0.00 0.00 54.13 52.93 2q4i s LEU 111 Cb -0.19 -1.67 1.48 0.00 0.03 0.00 0.00 46.19 45.83 2q4i s LEU 111 CO -0.03 0.07 1.85 0.35 0.23 0.00 0.00 176.35 178.83 2q4i n THR 112 N 4.15 0.00 0.69 5.49 -2.24 -0.05 -3.39 114.28 118.93 2q4i n THR 112 Ca -0.18 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 61.67 2q4i n THR 112 Cb 0.52 -0.57 -0.02 0.00 -2.10 0.00 0.00 70.33 68.16 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 -0.98 0.00 -3.82 4.78 0.18 -1.26 -4.91 117.16 111.15 2q4i n TYR 113 Ca 0.19 0.00 -0.06 0.00 1.88 0.00 0.00 57.90 59.91 2q4i n TYR 113 Cb 0.08 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.05 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 -1.94 1.66 0.30 -3.48 -1.05 -1.22 -5.13 118.70 107.84 2q4i s GLU 114 Ca 0.12 -1.01 -0.20 0.00 -0.15 0.00 0.00 54.97 53.73 2q4i s GLU 114 Cb 0.12 0.50 -0.09 0.00 -0.44 0.00 0.00 34.13 34.22 2q4i s GLU 114 CO 0.43 -0.77 0.80 -0.51 0.95 0.00 0.00 175.26 176.15 2q4i s ASP 115 N -3.10 7.01 0.33 0.83 1.01 -1.26 -4.58 116.67 116.91 2q4i s ASP 115 Ca 0.15 1.49 0.06 0.00 0.71 0.00 0.00 52.55 54.96 2q4i s ASP 115 Cb -0.04 -2.45 -0.03 0.00 1.01 0.00 0.00 42.92 41.41 2q4i s ASP 115 CO 0.07 -0.11 0.23 -0.94 0.21 0.00 0.00 175.17 174.63 2q4i s SER 116 N -1.90 1.75 -0.13 0.27 1.04 -0.84 -5.00 113.70 108.88 2q4i s SER 116 Ca 0.50 -1.71 0.02 0.00 0.48 0.00 0.00 55.95 55.24 2q4i s SER 116 Cb -0.14 0.53 -0.00 0.00 0.10 0.00 0.00 66.02 66.51 2q4i s SER 116 CO 0.19 -1.02 -0.19 -0.36 0.98 0.00 0.00 173.24 172.85 2q4i s PHE 117 N -3.47 2.69 0.21 5.02 0.08 -1.26 -1.10 117.98 120.16 2q4i s PHE 117 Ca 0.37 -1.03 0.06 0.00 0.12 0.00 0.00 56.93 56.46 2q4i s PHE 117 Cb 0.03 -1.81 -0.04 0.00 -0.57 0.00 0.00 43.02 40.63 2q4i s PHE 117 CO 0.24 -0.43 0.17 -0.51 -0.10 0.00 0.00 175.22 174.58 2q4i s LEU 118 N 0.57 3.81 0.17 -0.37 1.02 0.17 -4.45 118.68 119.60 2q4i s LEU 118 Ca -0.11 -0.20 -0.26 0.00 0.02 0.00 0.00 54.13 53.57 2q4i s LEU 118 Cb -0.16 -2.37 -0.08 0.00 0.02 0.00 0.00 46.19 43.59 2q4i s LEU 118 CO 0.04 0.01 0.82 0.00 0.02 0.00 0.00 176.35 177.23 2q4i s ALA 119 N -1.97 3.42 -0.32 4.21 0.00 -0.80 -0.22 121.76 126.07 2q4i s ALA 119 Ca 0.32 0.42 -0.19 0.00 0.00 0.00 0.00 51.96 52.51 2q4i s ALA 119 Cb -0.09 -3.02 -0.01 0.00 0.00 0.00 0.00 23.12 20.00 2q4i s ALA 119 CO 0.24 0.26 0.56 0.42 0.00 0.00 0.00 175.76 177.23 2q4i s ILE 120 N -1.07 4.99 -1.83 0.00 1.01 -0.89 -1.66 121.20 121.75 2q4i s ILE 120 Ca 0.37 0.61 0.25 0.00 0.00 0.00 0.00 60.65 61.88 2q4i s ILE 120 Cb -0.24 -3.96 0.19 0.00 0.01 0.00 0.00 42.46 38.47 2q4i s ILE 120 CO 0.27 -0.15 1.44 0.35 0.00 0.00 0.00 174.94 176.86 2q4i n THR 121 N 5.39 0.00 0.00 2.92 -2.24 0.11 -4.35 114.28 116.11 2q4i n THR 121 Ca -0.03 -0.16 0.00 0.00 -2.27 0.00 0.00 64.05 61.59 2q4i n THR 121 Cb 0.49 0.63 0.00 0.00 -2.10 0.00 0.00 70.33 69.35 2q4i n THR 121 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2q4i n GLY 122 N 1.36 3.99 1.34 3.38 0.00 -1.24 -4.99 105.19 109.03 2q4i n GLY 122 Ca 0.11 -1.25 -0.10 0.00 0.00 0.00 0.00 46.02 44.79 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 -1.64 3.71 3.21 -0.02 0.00 -1.19 -0.54 105.19 108.73 2q4i n GLY 123 Ca 0.00 -1.94 -0.13 0.00 0.00 0.00 0.00 46.02 43.96 2q4i n GLY 123 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2q4i s ALA 124 N -2.47 1.24 0.00 4.61 0.00 0.30 -3.93 121.76 121.51 2q4i s ALA 124 Ca 0.10 -1.73 0.00 0.00 0.00 0.00 0.00 51.96 50.33 2q4i s ALA 124 Cb 0.01 1.39 0.00 0.00 0.00 0.00 0.00 23.12 24.52 2q4i s ALA 124 CO 0.07 -0.59 0.00 0.41 0.00 0.00 0.00 175.76 175.65 2q4i n GLY 125 N -0.30 3.39 0.10 0.00 0.00 -1.26 -0.28 105.19 106.84 2q4i n GLY 125 Ca 0.02 -0.12 0.10 0.00 0.00 0.00 0.00 46.02 46.02 2q4i n GLY 125 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2q4i n ILE 126 N 0.00 1.02 0.98 -0.61 -5.35 -1.04 -1.96 119.36 112.39 2q4i n ILE 126 Ca 0.00 0.38 0.09 0.00 -0.27 0.00 0.00 62.75 62.96 2q4i n ILE 126 Cb 0.00 -1.31 0.29 0.00 -1.74 0.00 0.00 39.64 36.88 2q4i n ILE 126 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 2q4i n PHE 127 N -2.05 0.35 -1.78 4.28 3.72 0.61 -4.38 117.46 118.22 2q4i n PHE 127 Ca 0.01 -0.18 -0.41 0.00 -0.05 0.00 0.00 57.45 56.82 2q4i n PHE 127 Cb 0.15 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 38.68 2q4i n PHE 127 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 176.76 174.71 2q4i s GLU 128 N -1.65 4.11 0.00 -1.08 -6.30 -0.83 -1.71 118.70 111.25 2q4i s GLU 128 Ca 0.30 2.58 0.00 0.00 -2.50 0.00 0.00 54.97 55.36 2q4i s GLU 128 Cb 0.16 -3.00 0.00 0.00 0.00 0.00 0.00 34.13 31.30 2q4i s GLU 128 CO 0.23 -0.60 0.00 0.41 0.02 0.00 0.00 175.26 175.33 2q4i n GLY 129 N 1.41 2.79 3.72 -1.50 0.00 -1.26 -4.40 105.19 105.96 2q4i n GLY 129 Ca 0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.23 1.57 -3.46 4.61 0.00 -0.69 -4.50 120.51 117.81 2q4i n ALA 130 Ca 0.00 0.24 -0.10 0.00 0.00 0.00 0.00 53.44 53.58 2q4i n ALA 130 Cb 0.00 -2.32 -0.03 0.00 0.00 0.00 0.00 19.45 17.11 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 -1.21 -0.28 -5.00 0.00 -0.85 0.12 -4.15 117.35 105.99 2q4i s TYR 131 Ca 0.62 -0.05 0.00 0.00 -0.52 0.00 0.00 57.07 57.12 2q4i s TYR 131 Cb -0.48 0.52 0.00 0.00 0.38 0.00 0.00 41.96 42.38 2q4i s TYR 131 CO 0.57 -0.96 0.00 0.41 -1.52 0.00 0.00 175.55 174.05 2q4i n GLY 132 N -0.38 0.60 3.32 5.49 0.00 -1.26 0.11 105.19 113.08 2q4i n GLY 132 Ca -0.11 -1.73 -0.19 0.00 0.00 0.00 0.00 46.02 43.99 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 -2.00 1.25 0.01 1.61 -2.07 -1.26 -2.09 119.66 115.11 2q4i s GLN 133 Ca 0.00 -1.48 0.06 0.00 -1.82 0.00 0.00 55.36 52.12 2q4i s GLN 133 Cb 0.00 -1.12 -0.02 0.00 -1.09 0.00 0.00 33.01 30.79 2q4i s GLN 133 CO 0.00 0.20 -0.19 0.54 -1.32 0.00 0.00 175.29 174.52 2q4i s VAL 134 N -2.62 1.48 -0.23 3.63 0.11 0.69 -2.32 120.40 121.14 2q4i s VAL 134 Ca 0.18 -0.92 -0.12 0.00 -2.93 0.00 0.00 61.98 58.20 2q4i s VAL 134 Cb -0.02 -1.26 -0.05 0.00 -1.53 0.00 0.00 36.38 33.52 2q4i s VAL 134 CO 0.06 0.32 0.21 -0.75 -3.33 0.00 0.00 175.10 171.61 2q4i s LYS 135 N -0.70 4.10 -0.22 1.54 2.20 0.79 0.46 119.74 127.90 2q4i s LYS 135 Ca 0.07 -0.16 -0.14 0.00 -0.36 0.00 0.00 55.97 55.38 2q4i s LYS 135 Cb -0.08 -3.53 -0.04 0.00 -1.51 0.00 0.00 37.83 32.67 2q4i s LYS 135 CO 0.00 0.05 0.30 -1.17 -0.36 0.00 0.00 175.35 174.17 2q4i s LEU 136 N 1.09 4.13 -0.12 5.43 0.20 -0.25 -1.12 118.68 128.03 2q4i s LEU 136 Ca 0.10 0.34 0.02 0.00 0.69 0.00 0.00 54.13 55.28 2q4i s LEU 136 Cb -0.14 -2.35 0.02 0.00 -0.43 0.00 0.00 46.19 43.29 2q4i s LEU 136 CO 0.05 -0.03 -0.15 -1.10 -0.29 0.00 0.00 176.35 174.83 2q4i s GLN 137 N 1.27 2.25 0.88 1.98 -0.21 -0.49 -1.99 119.66 123.35 2q4i s GLN 137 Ca 0.14 -0.57 -0.11 0.00 0.02 0.00 0.00 55.36 54.84 2q4i s GLN 137 Cb -0.14 -1.94 0.12 0.00 1.00 0.00 0.00 33.01 32.06 2q4i s GLN 137 CO 0.07 -0.09 1.16 -0.65 -2.12 0.00 0.00 175.29 173.66 2q4i s GLN 138 N 1.05 1.25 0.16 2.91 -0.21 -1.26 -2.46 119.66 121.10 2q4i s GLN 138 Ca -0.05 1.59 0.00 0.00 0.02 0.00 0.00 55.36 56.92 2q4i s GLN 138 Cb -0.15 -1.75 0.00 0.00 1.00 0.00 0.00 33.01 32.11 2q4i s GLN 138 CO -0.03 -2.47 0.00 -0.11 -2.12 0.00 0.00 175.29 170.56 2q4i n LEU 139 N -3.94 -0.62 -3.26 2.90 7.94 -1.21 -4.79 117.00 114.02 2q4i n LEU 139 Ca 0.12 0.28 -0.06 0.00 -1.11 0.00 0.00 56.01 55.25 2q4i n LEU 139 Cb 0.52 0.73 -0.04 0.00 0.53 0.00 0.00 43.42 45.16 2q4i n LEU 139 CO 0.49 -0.49 -0.02 -0.69 -1.11 0.00 0.00 177.39 175.58 2q4i s VAL 140 N -2.00 -0.74 0.22 1.96 1.01 -0.85 -4.69 120.40 115.32 2q4i s VAL 140 Ca 0.00 -0.29 -0.30 0.00 0.00 0.00 0.00 61.98 61.39 2q4i s VAL 140 Cb 0.00 -0.75 -0.09 0.00 0.00 0.00 0.00 36.38 35.55 2q4i s VAL 140 CO 0.00 -0.22 1.12 -0.47 0.00 0.00 0.00 175.10 175.53 2q4i s TYR 141 N 2.29 3.55 -0.42 5.22 6.14 -1.26 -0.68 117.35 132.19 2q4i s TYR 141 Ca 0.12 1.61 0.04 0.00 0.64 0.00 0.00 57.07 59.48 2q4i s TYR 141 Cb -0.11 -3.31 0.45 0.00 0.42 0.00 0.00 41.96 39.41 2q4i s TYR 141 CO -0.20 -0.71 1.41 -0.35 0.64 0.00 0.00 175.55 176.34 2q4i n PRO 142 N 1.88 3.35 -0.00 4.97 -0.04 -1.26 -4.93 135.00 138.97 2q4i n PRO 142 Ca 0.01 -3.98 0.00 0.00 -0.04 0.00 0.00 63.50 59.49 2q4i n PRO 142 Cb 0.45 -2.28 -0.00 0.00 -0.04 0.00 0.00 33.50 31.63 2q4i n PRO 142 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2q4i n THR 143 N -0.72 0.00 -3.84 0.52 -2.24 0.15 -4.84 114.28 103.31 2q4i n THR 143 Ca 0.48 -0.44 -0.21 0.00 -2.27 0.00 0.00 64.05 61.61 2q4i n THR 143 Cb 0.83 0.94 -0.17 0.00 -2.10 0.00 0.00 70.33 69.83 2q4i n THR 143 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2q4i s LYS 144 N -1.13 0.52 0.10 -0.78 1.02 -0.05 -0.91 119.74 118.52 2q4i s LYS 144 Ca 0.00 0.10 0.07 0.00 0.02 0.00 0.00 55.97 56.16 2q4i s LYS 144 Cb 0.00 -0.83 -0.03 0.00 -0.52 0.00 0.00 37.83 36.45 2q4i s LYS 144 CO 0.00 -0.25 -0.17 -0.51 -0.92 0.00 0.00 175.35 173.50 2q4i s LEU 145 N 1.70 2.32 -0.11 3.17 1.02 0.23 -2.01 118.68 124.99 2q4i s LEU 145 Ca 0.01 -0.69 0.01 0.00 0.02 0.00 0.00 54.13 53.47 2q4i s LEU 145 Cb -0.13 -0.69 0.02 0.00 0.02 0.00 0.00 46.19 45.41 2q4i s LEU 145 CO -0.04 -0.03 -0.14 0.12 0.02 0.00 0.00 176.35 176.29 2q4i s PHE 146 N -1.43 1.88 0.11 0.29 5.36 -1.03 0.12 117.98 123.29 2q4i s PHE 146 Ca 0.04 -0.90 0.08 0.00 -0.96 0.00 0.00 56.93 55.19 2q4i s PHE 146 Cb -0.09 -1.38 -0.04 0.00 -0.34 0.00 0.00 43.02 41.17 2q4i s PHE 146 CO 0.04 -0.49 -0.12 0.71 -1.46 0.00 0.00 175.22 173.90 2q4i s TYR 147 N 1.13 2.68 -0.18 10.12 2.02 0.25 -1.40 117.35 131.98 2q4i s TYR 147 Ca -0.04 -0.19 -0.02 0.00 -0.37 0.00 0.00 57.07 56.45 2q4i s TYR 147 Cb -0.14 -1.40 0.05 0.00 -0.40 0.00 0.00 41.96 40.07 2q4i s TYR 147 CO -0.03 0.43 0.01 0.99 -1.57 0.00 0.00 175.55 175.37 2q4i s THR 148 N -1.25 0.70 0.70 -0.71 2.01 -0.28 -0.87 115.64 115.95 2q4i s THR 148 Ca 0.21 -0.56 -0.10 0.00 0.31 0.00 0.00 61.69 61.56 2q4i s THR 148 Cb -0.11 -1.09 0.03 0.00 0.01 0.00 0.00 72.50 71.35 2q4i s THR 148 CO 0.13 -0.09 1.07 -0.36 -0.69 0.00 0.00 174.62 174.67 2q4i s PHE 149 N 1.79 3.18 -0.41 4.92 0.08 0.13 -0.15 117.98 127.52 2q4i s PHE 149 Ca -0.00 0.83 0.05 0.00 0.12 0.00 0.00 56.93 57.92 2q4i s PHE 149 Cb -0.16 -3.11 0.19 0.00 -0.57 0.00 0.00 43.02 39.36 2q4i s PHE 149 CO -0.07 -1.27 0.38 0.66 -0.10 0.00 0.00 175.22 174.82 2q4i n TYR 150 N -2.98 -0.83 -2.61 0.36 4.01 -0.98 -3.26 117.16 110.88 2q4i n TYR 150 Ca 0.07 -3.35 -0.41 0.00 -0.16 0.00 0.00 57.90 54.04 2q4i n TYR 150 Cb 0.58 0.14 -0.04 0.00 -0.31 0.00 0.00 39.34 39.72 2q4i n TYR 150 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 2q4i s LEU 151 N -0.20 4.45 0.15 7.72 1.43 -1.18 -3.99 118.68 127.05 2q4i s LEU 151 Ca 0.33 1.90 0.07 0.00 -1.03 0.00 0.00 54.13 55.41 2q4i s LEU 151 Cb 0.07 -3.59 -0.04 0.00 0.03 0.00 0.00 46.19 42.66 2q4i s LEU 151 CO -0.18 -0.22 -0.16 -0.54 0.23 0.00 0.00 176.35 175.48 2q4i s LYS 152 N 0.25 1.18 0.00 1.70 1.02 0.31 0.49 119.74 124.69 2q4i s LYS 152 Ca 0.51 -1.35 0.00 0.00 0.02 0.00 0.00 55.97 55.14 2q4i s LYS 152 Cb -0.26 -1.15 0.00 0.00 -0.52 0.00 0.00 37.83 35.90 2q4i s LYS 152 CO 0.31 0.23 0.00 0.41 -0.92 0.00 0.00 175.35 175.38 2q4i n GLY 153 N 0.35 0.81 3.76 -3.33 0.00 -1.26 0.15 105.19 105.68 2q4i n GLY 153 Ca -0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.47 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 4.42 0.43 0.99 1.02 -1.26 -4.16 118.68 120.13 2q4i s LEU 154 Ca 0.00 2.64 0.09 0.00 0.02 0.00 0.00 54.13 56.88 2q4i s LEU 154 Cb 0.00 -3.64 0.95 0.00 0.02 0.00 0.00 46.19 43.52 2q4i s LEU 154 CO 0.00 -0.55 2.07 0.00 0.02 0.00 0.00 176.35 177.89 2q4i h ALA 155 N 3.93 1.78 -2.78 4.21 0.00 -1.77 -3.46 119.26 121.17 2q4i h ALA 155 Ca -0.48 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.26 2q4i h ALA 155 Cb 1.22 -0.13 -0.11 0.00 0.00 0.00 0.00 17.79 18.78 2q4i h ALA 155 CO 0.69 0.20 -0.27 -0.80 0.00 0.00 0.00 179.25 179.06 2q4i s ASN 156 N -6.73 0.16 0.51 0.00 -0.87 -1.26 -5.13 114.94 101.61 2q4i s ASN 156 Ca -0.08 -1.16 -0.23 0.00 -1.57 0.00 0.00 52.86 49.83 2q4i s ASN 156 Cb 0.17 0.54 -0.06 0.00 -0.02 0.00 0.00 41.25 41.88 2q4i s ASN 156 CO 0.72 -1.08 1.40 -1.81 -2.57 0.00 0.00 177.10 173.76 2q4i s ASP 157 N -3.10 5.48 1.14 -1.22 1.01 -1.26 -4.97 116.67 113.75 2q4i s ASP 157 Ca 0.29 2.86 -0.13 0.00 0.71 0.00 0.00 52.55 56.28 2q4i s ASP 157 Cb 0.02 -2.65 0.27 0.00 1.01 0.00 0.00 42.92 41.57 2q4i s ASP 157 CO 0.12 -1.44 1.04 -0.76 0.21 0.00 0.00 175.17 174.34 2q4i s LEU 158 N -3.21 0.97 0.15 1.23 1.43 -1.26 -4.95 118.68 113.04 2q4i s LEU 158 Ca 0.67 1.49 -0.30 0.00 -1.03 0.00 0.00 54.13 54.97 2q4i s LEU 158 Cb -0.43 -3.45 -0.07 0.00 0.03 0.00 0.00 46.19 42.28 2q4i s LEU 158 CO 0.52 -4.06 1.06 -2.16 0.23 0.00 0.00 176.35 171.95 2q4i s PRO 159 N -4.53 4.61 0.29 1.29 0.04 -1.26 -4.95 135.00 130.50 2q4i s PRO 159 Ca 0.68 1.64 0.00 0.00 0.04 0.00 0.00 61.00 63.36 2q4i s PRO 159 Cb -0.24 -3.31 0.68 0.00 0.04 0.00 0.00 34.50 31.67 2q4i s PRO 159 CO 0.64 0.10 1.60 -0.07 0.04 0.00 0.00 177.00 179.30 2q4i h LEU 160 N 5.35 -0.33 -2.63 -3.56 3.38 -1.99 0.28 115.31 115.81 2q4i h LEU 160 Ca -0.44 0.24 -0.00 0.00 0.09 0.00 0.00 57.88 57.77 2q4i h LEU 160 Cb 1.21 0.40 -0.00 0.00 0.09 0.00 0.00 40.66 42.36 2q4i h LEU 160 CO 0.73 -0.27 -0.00 1.05 0.09 0.00 0.00 178.44 180.03 2q4i h GLU 161 N 0.07 0.00 -0.34 1.13 4.11 -2.02 -1.45 114.58 116.09 2q4i h GLU 161 Ca 0.55 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.98 2q4i h GLU 161 Cb 1.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.36 2q4i h GLU 161 CO -0.80 0.00 0.00 1.28 0.07 0.00 0.00 179.01 179.56 2q4i n LEU 162 N -3.13 2.69 -0.01 3.06 4.77 0.97 -4.28 117.00 121.08 2q4i n LEU 162 Ca -0.02 -1.19 0.01 0.00 -0.03 0.00 0.00 56.01 54.78 2q4i n LEU 162 Cb 0.12 -0.22 0.01 0.00 -2.33 0.00 0.00 43.42 41.01 2q4i n LEU 162 CO 0.22 0.59 0.48 0.35 -1.33 0.00 0.00 177.39 177.70 2q4i n THR 163 N 0.99 0.95 -1.56 -5.08 -2.24 -0.55 -4.79 114.28 102.00 2q4i n THR 163 Ca 0.18 -0.98 -0.40 0.00 -2.27 0.00 0.00 64.05 60.57 2q4i n THR 163 Cb 0.48 0.50 0.02 0.00 -2.10 0.00 0.00 70.33 69.22 2q4i n THR 163 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2q4i n GLY 164 N -0.51 -0.63 3.54 3.38 0.00 -1.23 -4.74 105.19 104.99 2q4i n GLY 164 Ca 0.01 0.03 -0.38 0.00 0.00 0.00 0.00 46.02 45.68 2q4i n GLY 164 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2q4i n THR 165 N -0.96 -0.02 -1.56 2.61 -1.04 -1.26 -4.34 114.28 107.71 2q4i n THR 165 Ca 0.11 -0.64 -0.54 0.00 -2.04 0.00 0.00 64.05 60.94 2q4i n THR 165 Cb 0.42 -2.44 -0.06 0.00 -1.82 0.00 0.00 70.33 66.43 2q4i n THR 165 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 2q4i n PRO 166 N 8.88 0.75 -1.69 -2.82 -0.02 -1.26 -4.60 135.00 134.23 2q4i n PRO 166 Ca 0.40 0.27 -0.43 0.00 -2.02 0.00 0.00 63.50 61.72 2q4i n PRO 166 Cb 0.46 -1.84 -0.03 0.00 -0.02 0.00 0.00 33.50 32.06 2q4i n PRO 166 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2q4i n VAL 167 N 2.06 0.32 -1.80 -1.45 0.31 -0.75 -4.88 118.33 112.13 2q4i n VAL 167 Ca 0.19 -0.06 -0.40 0.00 -0.01 0.00 0.00 64.34 64.06 2q4i n VAL 167 Cb 0.16 -2.07 0.01 0.00 -0.91 0.00 0.00 33.84 31.03 2q4i n VAL 167 CO 0.00 0.00 0.00 -2.84 -1.32 0.00 0.00 176.83 172.67 2q4i s PRO 168 N 2.55 3.75 0.08 5.55 0.02 -1.26 -4.84 135.00 140.85 2q4i s PRO 168 Ca 0.82 2.43 -0.31 0.00 0.02 0.00 0.00 61.00 63.96 2q4i s PRO 168 Cb -0.50 -2.70 -0.09 0.00 0.02 0.00 0.00 34.50 31.22 2q4i s PRO 168 CO 0.37 -0.77 1.86 -1.25 -0.33 0.00 0.00 177.00 176.88 2q4i s PRO 169 N -2.40 4.14 0.09 5.54 0.04 -1.26 -4.97 135.00 136.18 2q4i s PRO 169 Ca 0.60 2.57 -0.13 0.00 0.04 0.00 0.00 61.00 64.08 2q4i s PRO 169 Cb -0.44 -3.81 0.02 0.00 0.04 0.00 0.00 34.50 30.30 2q4i s PRO 169 CO 0.57 -0.88 0.29 -1.54 0.04 0.00 0.00 177.00 175.49 2q4i s SER 170 N 3.34 -0.07 0.52 6.66 1.04 -1.26 -5.04 113.70 118.88 2q4i s SER 170 Ca 0.83 -0.40 0.19 0.00 0.48 0.00 0.00 55.95 57.05 2q4i s SER 170 Cb -0.44 0.39 1.33 0.00 0.10 0.00 0.00 66.02 67.40 2q4i s SER 170 CO 0.38 -0.73 2.13 0.07 0.98 0.00 0.00 173.24 176.06 2q4i h LYS 171 N 2.77 0.00 -2.37 4.02 2.10 -1.93 -3.18 116.57 117.98 2q4i h LYS 171 Ca -0.33 0.00 -0.62 0.00 -2.00 0.00 0.00 60.65 57.70 2q4i h LYS 171 Cb 1.22 0.00 -0.14 0.00 -0.90 0.00 0.00 32.23 32.41 2q4i h LYS 171 CO 0.50 0.05 1.58 -0.25 -2.00 0.00 0.00 179.45 179.34 2q4i n ASP 172 N -4.28 7.36 -4.12 7.07 8.00 -1.26 -4.94 116.55 124.38 2q4i n ASP 172 Ca -0.03 -3.11 -0.20 0.00 0.71 0.00 0.00 54.79 52.15 2q4i n ASP 172 Cb 0.14 -1.32 -0.14 0.00 -0.02 0.00 0.00 41.12 39.78 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 -1.34 1.06 -0.01 0.53 -5.25 -1.20 -5.15 121.20 109.84 2q4i s ILE 173 Ca 0.57 -0.83 -0.09 0.00 -0.99 0.00 0.00 60.65 59.31 2q4i s ILE 173 Cb 0.27 -0.94 0.01 0.00 2.95 0.00 0.00 42.46 44.74 2q4i s ILE 173 CO -0.14 0.10 0.18 -1.61 -1.79 0.00 0.00 174.94 171.69 2q4i s GLU 174 N -0.83 0.50 0.82 0.37 0.41 -1.26 -5.08 118.70 113.63 2q4i s GLU 174 Ca 0.03 -0.28 -0.12 0.00 -0.41 0.00 0.00 54.97 54.19 2q4i s GLU 174 Cb -0.07 0.21 0.09 0.00 -1.78 0.00 0.00 34.13 32.59 2q4i s GLU 174 CO 0.01 -0.12 1.14 -1.25 -0.49 0.00 0.00 175.26 174.55 2q4i s PRO 175 N -1.20 1.69 0.89 0.39 0.04 -1.26 -4.92 135.00 130.62 2q4i s PRO 175 Ca -0.13 1.49 -0.11 0.00 0.04 0.00 0.00 61.00 62.29 2q4i s PRO 175 Cb -0.06 -1.81 0.11 0.00 0.04 0.00 0.00 34.50 32.77 2q4i s PRO 175 CO 0.02 -2.12 0.99 0.00 0.04 0.00 0.00 177.00 175.93 2q4i n ALA 176 N -3.61 -1.01 -0.12 8.56 0.00 0.13 -4.82 120.51 119.63 2q4i n ALA 176 Ca 0.11 -0.51 -0.06 0.00 0.00 0.00 0.00 53.44 52.99 2q4i n ALA 176 Cb 0.52 -2.12 0.12 0.00 0.00 0.00 0.00 19.45 17.97 2q4i n ALA 176 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2q4i h PRO 177 N -1.56 0.85 -0.16 0.00 0.13 -1.92 -2.74 132.00 126.60 2q4i h PRO 177 Ca -0.44 -0.26 -0.06 0.00 -0.87 0.00 0.00 66.00 64.37 2q4i h PRO 177 Cb 1.28 -0.08 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 2q4i h PRO 177 CO 0.41 0.88 -0.17 0.93 -0.23 0.00 0.00 178.00 179.82 2q4i h GLU 178 N 0.77 0.26 -0.12 0.86 3.07 -1.91 -2.09 114.58 115.43 2q4i h GLU 178 Ca 0.14 -0.07 -0.08 0.00 -0.50 0.00 0.00 59.36 58.85 2q4i h GLU 178 Cb 0.54 -0.03 0.00 0.00 -0.84 0.00 0.00 28.75 28.42 2q4i h GLU 178 CO 0.03 0.43 -0.22 0.00 -1.40 0.00 0.00 179.01 177.85 2q4i h ALA 179 N 1.59 0.19 -0.66 3.43 0.00 -1.65 0.71 119.26 122.87 2q4i h ALA 179 Ca 0.05 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 2q4i h ALA 179 Cb 0.45 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 2q4i h ALA 179 CO 0.03 0.14 0.36 0.87 0.00 0.00 0.00 179.25 180.65 2q4i h LYS 180 N -0.06 0.91 -0.00 0.00 1.57 -1.35 -2.28 116.57 115.35 2q4i h LYS 180 Ca 0.01 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 2q4i h LYS 180 Cb 0.80 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.93 2q4i h LYS 180 CO 0.05 0.67 -0.10 0.00 -0.57 0.00 0.00 179.45 179.50 2q4i n ALA 181 N -2.44 2.74 -2.58 3.86 0.00 -0.80 -4.93 120.51 116.36 2q4i n ALA 181 Ca 0.06 -0.26 -0.17 0.00 0.00 0.00 0.00 53.44 53.08 2q4i n ALA 181 Cb 0.10 -1.35 0.01 0.00 0.00 0.00 0.00 19.45 18.21 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 -0.96 -2.09 -4.77 0.00 4.77 -0.77 -4.99 117.00 108.18 2q4i n LEU 182 Ca 0.15 -0.12 -0.36 0.00 -0.03 0.00 0.00 56.01 55.65 2q4i n LEU 182 Cb 0.27 -2.42 0.01 0.00 -2.33 0.00 0.00 43.42 38.95 2q4i n LEU 182 CO 0.23 0.01 0.81 -1.61 -1.33 0.00 0.00 177.39 175.50 2q4i s GLU 183 N -5.13 3.36 0.40 3.23 2.02 0.17 -4.84 118.70 117.92 2q4i s GLU 183 Ca 0.12 1.71 0.18 0.00 0.02 0.00 0.00 54.97 56.99 2q4i s GLU 183 Cb -0.05 -2.08 1.09 0.00 0.10 0.00 0.00 34.13 33.19 2q4i s GLU 183 CO 0.15 -0.86 1.78 -1.35 0.02 0.00 0.00 175.26 175.00 2q4i h PRO 184 N 1.33 0.39 0.00 0.39 0.11 -1.94 0.84 132.00 133.13 2q4i h PRO 184 Ca -0.50 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.59 2q4i h PRO 184 Cb 1.27 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2q4i h PRO 184 CO 0.57 0.26 0.00 -1.13 -0.21 0.00 0.00 178.00 177.49 2q4i n SER 185 N -4.61 0.30 -0.86 -2.05 3.41 -1.26 -3.18 113.62 105.38 2q4i n SER 185 Ca 0.24 0.55 0.09 0.00 -0.26 0.00 0.00 58.87 59.50 2q4i n SER 185 Cb 0.84 -0.62 0.14 0.00 -0.26 0.00 0.00 64.21 64.31 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 0.66 1.23 0.00 5.00 0.00 0.29 -4.88 105.19 107.50 2q4i n GLY 186 Ca 0.05 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.50 2q4i n GLY 186 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2q4i n VAL 187 N 1.09 0.00 -4.47 1.61 0.24 -1.03 -0.68 118.33 115.09 2q4i n VAL 187 Ca 0.14 0.00 -0.23 0.00 -2.04 0.00 0.00 64.34 62.21 2q4i n VAL 187 Cb 0.49 0.00 -0.10 0.00 -1.47 0.00 0.00 33.84 32.76 2q4i n VAL 187 CO 0.00 0.00 0.00 0.27 -2.14 0.00 0.00 176.83 174.96 2q4i s ILE 188 N -1.29 1.12 -0.01 1.34 -4.36 -1.00 -4.71 121.20 112.30 2q4i s ILE 188 Ca 0.00 -2.00 -0.37 0.00 -0.26 0.00 0.00 60.65 58.02 2q4i s ILE 188 Cb 0.00 -2.71 -0.16 0.00 1.25 0.00 0.00 42.46 40.83 2q4i s ILE 188 CO 0.00 0.00 1.46 -1.20 0.24 0.00 0.00 174.94 175.44 2q4i n SER 189 N -0.80 1.89 -3.92 4.36 7.64 -1.26 -2.22 113.62 119.31 2q4i n SER 189 Ca -0.03 1.10 -0.31 0.00 1.01 0.00 0.00 58.87 60.64 2q4i n SER 189 Cb 0.66 -1.19 0.01 0.00 -1.01 0.00 0.00 64.21 62.69 2q4i n SER 189 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 2q4i n ASN 190 N 3.33 -2.91 -4.72 6.43 3.02 -1.26 -2.49 115.26 116.66 2q4i n ASN 190 Ca 0.20 -0.89 -0.39 0.00 -0.03 0.00 0.00 54.58 53.48 2q4i n ASN 190 Cb 0.18 -1.10 0.04 0.00 -0.61 0.00 0.00 39.78 38.29 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 -3.62 2.08 -2.62 3.10 0.18 -0.94 -3.87 117.16 111.47 2q4i n TYR 191 Ca -0.10 0.44 -0.41 0.00 1.88 0.00 0.00 57.90 59.72 2q4i n TYR 191 Cb 0.40 -2.33 -0.05 0.00 -0.38 0.00 0.00 39.34 36.99 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 -1.31 4.03 0.00 -3.48 2.01 -0.71 -4.83 115.64 111.35 2q4i s THR 192 Ca 0.72 1.83 0.00 0.00 0.31 0.00 0.00 61.69 64.54 2q4i s THR 192 Cb -0.43 -4.17 0.00 0.00 0.01 0.00 0.00 72.50 67.92 2q4i s THR 192 CO 0.49 0.35 0.00 -3.20 -0.69 0.00 0.00 174.62 171.57