#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 5.25 -0.21 3.15 1.01 -1.26 -4.48 120.40 123.86 2q4i s VAL 21 Ca 0.00 0.71 -0.02 0.00 0.00 0.00 0.00 61.98 62.67 2q4i s VAL 21 Cb 0.00 -3.71 0.01 0.00 0.00 0.00 0.00 36.38 32.68 2q4i s VAL 21 CO 0.00 0.35 -0.10 -1.10 0.00 0.00 0.00 175.10 174.24 2q4i s GLN 22 N 0.65 3.15 0.34 2.72 -0.21 -0.19 -4.90 119.66 121.21 2q4i s GLN 22 Ca 0.20 -0.76 -0.14 0.00 0.02 0.00 0.00 55.36 54.68 2q4i s GLN 22 Cb -0.14 -2.85 -0.08 0.00 1.00 0.00 0.00 33.01 30.94 2q4i s GLN 22 CO 0.07 -0.24 0.74 -1.21 -2.12 0.00 0.00 175.29 172.53 2q4i s GLU 23 N 1.39 3.96 -0.12 2.91 2.02 -1.26 -1.15 118.70 126.44 2q4i s GLU 23 Ca 0.05 0.63 -0.05 0.00 0.02 0.00 0.00 54.97 55.61 2q4i s GLU 23 Cb -0.14 -2.42 0.06 0.00 0.10 0.00 0.00 34.13 31.72 2q4i s GLU 23 CO -0.07 0.12 0.26 -1.17 0.02 0.00 0.00 175.26 174.42 2q4i s LEU 24 N -3.14 0.00 -0.00 1.80 2.96 -0.62 -4.98 118.68 114.69 2q4i s LEU 24 Ca 0.54 0.56 0.04 0.00 -0.22 0.00 0.00 54.13 55.05 2q4i s LEU 24 Cb -0.10 0.71 -0.03 0.00 0.50 0.00 0.00 46.19 47.27 2q4i s LEU 24 CO 0.20 -0.21 -0.11 -0.44 -1.32 0.00 0.00 176.35 174.47 2q4i s SER 25 N 1.92 4.34 0.05 3.68 0.01 -1.26 -1.64 113.70 120.80 2q4i s SER 25 Ca -0.03 -0.21 -0.04 0.00 1.31 0.00 0.00 55.95 56.98 2q4i s SER 25 Cb -0.11 -0.94 -0.02 0.00 0.21 0.00 0.00 66.02 65.16 2q4i s SER 25 CO -0.09 0.29 0.06 0.68 0.41 0.00 0.00 173.24 174.59 2q4i s VAL 26 N -0.92 0.17 -0.13 3.43 -7.23 -1.15 -1.76 120.40 112.81 2q4i s VAL 26 Ca 0.15 -1.42 -0.01 0.00 -1.81 0.00 0.00 61.98 58.89 2q4i s VAL 26 Cb -0.11 -1.24 -0.02 0.00 0.56 0.00 0.00 36.38 35.57 2q4i s VAL 26 CO 0.05 -0.78 -0.09 -0.31 -0.31 0.00 0.00 175.10 173.66 2q4i s TYR 27 N -3.42 2.91 -0.17 2.82 2.02 -0.88 -1.64 117.35 118.98 2q4i s TYR 27 Ca 0.02 -0.41 -0.06 0.00 -0.37 0.00 0.00 57.07 56.26 2q4i s TYR 27 Cb 0.04 -1.87 -0.03 0.00 -0.40 0.00 0.00 41.96 39.70 2q4i s TYR 27 CO -0.08 -0.06 0.01 -2.00 -1.57 0.00 0.00 175.55 171.85 2q4i s GLU 28 N 0.19 3.83 -0.03 -0.62 2.12 0.25 -1.76 118.70 122.67 2q4i s GLU 28 Ca -0.05 -0.43 0.01 0.00 0.36 0.00 0.00 54.97 54.86 2q4i s GLU 28 Cb -0.14 -3.07 0.02 0.00 0.26 0.00 0.00 34.13 31.20 2q4i s GLU 28 CO 0.04 0.26 -0.02 0.42 -0.54 0.00 0.00 175.26 175.42 2q4i s ILE 29 N 0.37 0.29 -0.57 -3.70 1.01 -0.41 -1.18 121.20 117.00 2q4i s ILE 29 Ca -0.00 -0.01 -0.22 0.00 0.00 0.00 0.00 60.65 60.41 2q4i s ILE 29 Cb -0.13 -0.34 0.06 0.00 0.01 0.00 0.00 42.46 42.06 2q4i s ILE 29 CO 0.02 0.15 0.85 0.21 0.00 0.00 0.00 174.94 176.17 2q4i s ASN 30 N 0.77 6.25 -0.18 3.58 3.84 0.15 -1.76 114.94 127.58 2q4i s ASN 30 Ca -0.08 -0.75 0.12 0.00 0.21 0.00 0.00 52.86 52.36 2q4i s ASN 30 Cb -0.12 -2.38 0.67 0.00 -0.55 0.00 0.00 41.25 38.87 2q4i s ASN 30 CO -0.01 -1.19 1.52 -0.62 -2.79 0.00 0.00 177.10 174.01 2q4i n GLU 31 N 7.11 4.06 -1.88 0.43 1.02 -1.26 -4.91 120.64 125.21 2q4i n GLU 31 Ca -0.03 -2.56 -0.17 0.00 -0.02 0.00 0.00 57.16 54.38 2q4i n GLU 31 Cb 0.46 -2.08 -0.04 0.00 -0.02 0.00 0.00 31.44 29.76 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 0.59 -1.36 -2.00 -4.62 4.77 -1.26 -4.86 117.00 108.26 2q4i n LEU 32 Ca 0.23 0.28 -0.12 0.00 -0.03 0.00 0.00 56.01 56.36 2q4i n LEU 32 Cb 0.99 -2.46 0.05 0.00 -2.33 0.00 0.00 43.42 39.67 2q4i n LEU 32 CO 0.26 -0.58 0.15 -0.90 -1.33 0.00 0.00 177.39 174.99 2q4i n ASP 33 N -1.32 3.41 -0.43 -1.43 5.75 -1.26 -4.64 116.55 116.62 2q4i n ASP 33 Ca -0.18 -3.23 0.00 0.00 -0.01 0.00 0.00 54.79 51.37 2q4i n ASP 33 Cb 0.59 -0.40 0.00 0.00 -1.03 0.00 0.00 41.12 40.28 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 -0.66 0.00 -1.59 0.11 1.74 -1.26 -5.01 116.66 109.98 2q4i n ARG 34 Ca 0.29 -0.74 -0.19 0.00 -0.77 0.00 0.00 57.85 56.44 2q4i n ARG 34 Cb 0.90 -0.40 -0.08 0.00 -1.02 0.00 0.00 32.46 31.87 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 0.00 -0.06 -4.67 -1.55 8.25 -1.26 -4.85 115.22 111.08 2q4i n HIS 35 Ca 0.00 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.14 2q4i n HIS 35 Cb 0.64 -3.18 -0.12 0.00 1.12 0.00 0.00 29.99 28.44 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 -2.76 4.11 0.66 0.41 0.15 -1.26 -4.20 113.70 110.80 2q4i s SER 36 Ca 0.00 -0.27 -0.07 0.00 0.70 0.00 0.00 55.95 56.31 2q4i s SER 36 Cb 0.00 -0.82 0.03 0.00 -1.71 0.00 0.00 66.02 63.52 2q4i s SER 36 CO 0.00 0.29 0.98 -2.16 1.20 0.00 0.00 173.24 173.55 2q4i s PRO 37 N -1.22 2.60 -0.28 5.44 0.04 -1.26 -4.87 135.00 135.45 2q4i s PRO 37 Ca 0.14 -0.04 -0.03 0.00 0.04 0.00 0.00 61.00 61.11 2q4i s PRO 37 Cb -0.11 -2.19 0.03 0.00 0.04 0.00 0.00 34.50 32.27 2q4i s PRO 37 CO 0.05 -0.98 -0.00 0.21 0.04 0.00 0.00 177.00 176.31 2q4i s LYS 38 N -5.15 2.74 -0.76 4.56 2.47 -1.12 -5.07 119.74 117.41 2q4i s LYS 38 Ca 0.57 -1.06 -0.21 0.00 -1.56 0.00 0.00 55.97 53.71 2q4i s LYS 38 Cb -0.11 -3.16 0.10 0.00 -1.46 0.00 0.00 37.83 33.20 2q4i s LYS 38 CO 0.46 -0.50 1.01 0.42 0.16 0.00 0.00 175.35 176.90 2q4i s ILE 39 N 1.34 4.52 -1.02 5.43 -1.09 -1.26 -3.59 121.20 125.53 2q4i s ILE 39 Ca -0.01 -0.89 -0.23 0.00 -2.23 0.00 0.00 60.65 57.29 2q4i s ILE 39 Cb -0.18 -4.71 0.02 0.00 -1.58 0.00 0.00 42.46 36.02 2q4i s ILE 39 CO -0.01 -1.45 1.61 -0.76 -1.23 0.00 0.00 174.94 173.10 2q4i s LEU 40 N 3.43 3.43 -0.69 2.97 1.43 0.17 -4.90 118.68 124.52 2q4i s LEU 40 Ca 0.25 -1.35 -0.27 0.00 -1.03 0.00 0.00 54.13 51.74 2q4i s LEU 40 Cb -0.13 -2.57 0.02 0.00 0.03 0.00 0.00 46.19 43.54 2q4i s LEU 40 CO 0.02 -1.84 1.38 -0.75 0.23 0.00 0.00 176.35 175.39 2q4i s LYS 41 N 5.47 3.14 -0.21 1.70 2.47 -1.26 -1.94 119.74 129.12 2q4i s LYS 41 Ca 0.53 0.01 0.04 0.00 -1.56 0.00 0.00 55.97 55.00 2q4i s LYS 41 Cb -0.01 -4.19 -0.15 0.00 -1.46 0.00 0.00 37.83 32.01 2q4i s LYS 41 CO -0.05 -2.17 -0.15 0.09 0.16 0.00 0.00 175.35 173.22 2q4i n ASN 42 N 9.84 2.06 -4.76 1.43 4.13 -1.26 -4.95 115.26 121.74 2q4i n ASN 42 Ca 0.07 -0.10 -0.41 0.00 1.68 0.00 0.00 54.58 55.82 2q4i n ASN 42 Cb 0.49 -0.12 -0.01 0.00 -1.54 0.00 0.00 39.78 38.60 2q4i n ASN 42 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2q4i s ALA 43 N -2.43 3.69 0.48 5.41 0.00 -1.26 -4.90 121.76 122.76 2q4i s ALA 43 Ca -0.26 1.59 0.23 0.00 0.00 0.00 0.00 51.96 53.52 2q4i s ALA 43 Cb 0.07 -3.64 1.41 0.00 0.00 0.00 0.00 23.12 20.96 2q4i s ALA 43 CO 0.53 -1.03 2.11 0.74 0.00 0.00 0.00 175.76 178.12 2q4i h PHE 44 N 4.19 0.00 -4.25 0.00 0.04 -1.92 -3.44 116.94 111.55 2q4i h PHE 44 Ca -0.48 0.00 -0.52 0.00 2.80 0.00 0.00 57.97 59.76 2q4i h PHE 44 Cb 1.23 0.00 0.18 0.00 2.20 0.00 0.00 35.95 39.55 2q4i h PHE 44 CO 0.57 0.09 0.28 0.45 -0.60 0.00 0.00 178.31 179.10 2q4i s SER 45 N -6.49 3.50 0.00 2.17 0.15 -1.26 -5.18 113.70 106.59 2q4i s SER 45 Ca -0.04 2.18 0.00 0.00 0.70 0.00 0.00 55.95 58.79 2q4i s SER 45 Cb 0.15 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.89 2q4i s SER 45 CO 0.61 -2.72 0.39 0.18 1.20 0.00 0.00 173.24 172.91 2q4i n LEU 46 N -3.73 0.35 -4.85 3.45 4.77 -1.26 -4.96 117.00 110.77 2q4i n LEU 46 Ca 0.12 -0.18 -0.37 0.00 -0.03 0.00 0.00 56.01 55.55 2q4i n LEU 46 Cb 0.52 -0.18 -0.06 0.00 -2.33 0.00 0.00 43.42 41.37 2q4i n LEU 46 CO 0.49 0.09 0.03 -0.36 -1.33 0.00 0.00 177.39 176.31 2q4i s PHE 48 N -1.38 3.68 0.28 -1.77 0.08 -1.26 -5.13 117.98 112.48 2q4i s PHE 48 Ca 0.00 0.84 -0.18 0.00 0.12 0.00 0.00 56.93 57.72 2q4i s PHE 48 Cb 0.00 -2.18 0.01 0.00 -0.57 0.00 0.00 43.02 40.28 2q4i s PHE 48 CO 0.00 0.65 0.64 0.20 -0.10 0.00 0.00 175.22 176.61 2q4i s GLY 49 N -1.19 0.18 0.02 4.36 0.00 -1.26 -4.01 107.32 105.42 2q4i s GLY 49 Ca 0.23 -0.55 -0.38 0.00 0.00 0.00 0.00 44.72 44.02 2q4i s GLY 49 CO 0.12 -0.30 1.37 -0.10 0.00 0.00 0.00 173.10 174.19 2q4i n LEU 50 N -0.44 1.56 0.00 0.66 7.94 -1.25 -0.75 117.00 124.72 2q4i n LEU 50 Ca -0.03 1.12 0.00 0.00 -1.11 0.00 0.00 56.01 55.99 2q4i n LEU 50 Cb 0.60 -1.15 0.00 0.00 0.53 0.00 0.00 43.42 43.40 2q4i n LEU 50 CO 0.18 -1.05 0.00 0.61 -1.11 0.00 0.00 177.39 176.02 2q4i n GLY 51 N 2.66 2.52 3.77 -3.96 0.00 -1.26 -4.46 105.19 104.47 2q4i n GLY 51 Ca 0.20 -0.80 -0.38 0.00 0.00 0.00 0.00 46.02 45.04 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 -0.14 6.31 -0.01 1.61 1.01 0.07 -4.32 116.67 121.19 2q4i s ASP 52 Ca 0.00 2.35 0.02 0.00 0.71 0.00 0.00 52.55 55.63 2q4i s ASP 52 Cb 0.00 -2.61 0.00 0.00 1.01 0.00 0.00 42.92 41.32 2q4i s ASP 52 CO 0.00 -0.83 -0.06 -0.76 0.21 0.00 0.00 175.17 173.73 2q4i s LEU 53 N -2.78 1.87 -0.54 1.23 1.43 -0.82 -1.89 118.68 117.18 2q4i s LEU 53 Ca 0.61 -0.12 0.05 0.00 -1.03 0.00 0.00 54.13 53.63 2q4i s LEU 53 Cb -0.30 -0.37 0.18 0.00 0.03 0.00 0.00 46.19 45.73 2q4i s LEU 53 CO 0.37 0.05 0.43 0.52 0.23 0.00 0.00 176.35 177.96 2q4i n VAL 54 N 3.15 0.14 -1.98 -1.59 0.31 0.22 0.46 118.33 119.04 2q4i n VAL 54 Ca -0.16 -4.12 -0.36 0.00 -0.01 0.00 0.00 64.34 59.69 2q4i n VAL 54 Cb 0.56 -1.91 0.04 0.00 -0.91 0.00 0.00 33.84 31.62 2q4i n VAL 54 CO 0.00 0.00 0.00 -2.84 -1.32 0.00 0.00 176.83 172.67 2q4i s PRO 55 N -0.73 2.93 0.29 5.55 0.02 -1.24 -0.23 135.00 141.59 2q4i s PRO 55 Ca 0.30 1.79 -0.17 0.00 0.02 0.00 0.00 61.00 62.94 2q4i s PRO 55 Cb 0.01 -1.93 0.02 0.00 0.02 0.00 0.00 34.50 32.62 2q4i s PRO 55 CO -0.18 -1.23 0.64 -0.59 -0.33 0.00 0.00 177.00 175.31 2q4i s PHE 56 N -1.67 0.10 -0.30 6.54 -0.12 0.13 -2.80 117.98 119.86 2q4i s PHE 56 Ca 0.76 -0.55 -0.12 0.00 -0.05 0.00 0.00 56.93 56.98 2q4i s PHE 56 Cb -0.29 0.52 0.15 0.00 -0.63 0.00 0.00 43.02 42.76 2q4i s PHE 56 CO 0.34 -1.21 0.79 -0.08 -0.05 0.00 0.00 175.22 175.01 2q4i s THR 57 N -3.67 -0.80 0.47 -4.49 -1.32 -1.26 -2.04 115.64 102.54 2q4i s THR 57 Ca 0.16 0.00 0.05 0.00 -1.21 0.00 0.00 61.69 60.70 2q4i s THR 57 Cb -0.04 -1.00 -0.02 0.00 -1.51 0.00 0.00 72.50 69.93 2q4i s THR 57 CO 0.09 0.00 0.20 0.20 -2.21 0.00 0.00 174.62 172.90 2q4i s ASN 58 N 2.73 4.40 0.36 8.08 0.01 -1.18 -4.69 114.94 124.65 2q4i s ASN 58 Ca -0.03 -1.27 -0.11 0.00 -0.71 0.00 0.00 52.86 50.74 2q4i s ASN 58 Cb -0.10 0.01 -0.07 0.00 0.41 0.00 0.00 41.25 41.51 2q4i s ASN 58 CO -0.18 -0.78 0.73 -0.54 -1.51 0.00 0.00 177.10 174.82 2q4i s LYS 59 N -4.00 3.83 -0.04 -0.60 1.02 -0.72 -1.11 119.74 118.11 2q4i s LYS 59 Ca 0.31 0.48 0.04 0.00 0.02 0.00 0.00 55.97 56.81 2q4i s LYS 59 Cb 0.02 -2.44 -0.00 0.00 -0.52 0.00 0.00 37.83 34.89 2q4i s LYS 59 CO 0.18 0.06 -0.15 -1.17 -0.92 0.00 0.00 175.35 173.34 2q4i s LEU 60 N -3.53 1.89 0.17 3.17 2.96 -0.49 -1.29 118.68 121.55 2q4i s LEU 60 Ca 0.51 -0.32 0.02 0.00 -0.22 0.00 0.00 54.13 54.13 2q4i s LEU 60 Cb -0.10 -0.89 -0.05 0.00 0.50 0.00 0.00 46.19 45.65 2q4i s LEU 60 CO 0.27 0.13 -0.02 -0.31 -1.32 0.00 0.00 176.35 175.10 2q4i s TYR 61 N 0.08 1.21 0.82 5.38 2.02 -0.72 -0.95 117.35 125.19 2q4i s TYR 61 Ca -0.04 -0.96 -0.11 0.00 -0.37 0.00 0.00 57.07 55.59 2q4i s TYR 61 Cb -0.11 -0.68 0.08 0.00 -0.40 0.00 0.00 41.96 40.85 2q4i s TYR 61 CO 0.02 -0.15 1.11 0.95 -1.57 0.00 0.00 175.55 175.91 2q4i s THR 62 N -3.59 2.87 -0.47 -0.71 -4.23 -0.44 -2.08 115.64 106.99 2q4i s THR 62 Ca 0.22 0.29 0.22 0.00 -1.18 0.00 0.00 61.69 61.24 2q4i s THR 62 Cb 0.05 -2.62 0.23 0.00 1.34 0.00 0.00 72.50 71.50 2q4i s THR 62 CO 0.03 -0.36 1.67 0.61 -0.54 0.00 0.00 174.62 176.03 2q4i n GLY 63 N -0.67 -1.16 0.95 3.99 0.00 -0.72 -1.12 105.19 106.47 2q4i n GLY 63 Ca 0.10 0.10 0.12 0.00 0.00 0.00 0.00 46.02 46.34 2q4i n GLY 63 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2q4i n ASP 64 N -2.18 2.86 -1.18 1.61 5.68 -1.25 -0.59 116.55 121.50 2q4i n ASP 64 Ca 0.01 -1.91 -0.15 0.00 -0.50 0.00 0.00 54.79 52.25 2q4i n ASP 64 Cb 0.18 -0.16 -0.07 0.00 -1.14 0.00 0.00 41.12 39.93 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 1.13 -0.88 0.10 -2.12 4.77 -0.27 -4.57 117.00 115.16 2q4i n LEU 65 Ca 0.18 0.38 0.01 0.00 -0.03 0.00 0.00 56.01 56.54 2q4i n LEU 65 Cb 0.53 -2.71 -0.02 0.00 -2.33 0.00 0.00 43.42 38.89 2q4i n LEU 65 CO 0.15 -1.04 0.22 0.11 -1.33 0.00 0.00 177.39 175.50 2q4i h LYS 66 N 0.01 0.00 -3.86 3.23 1.57 -1.94 0.78 116.57 116.37 2q4i h LYS 66 Ca -0.31 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.26 2q4i h LYS 66 Cb 1.24 0.00 -0.25 0.00 0.08 0.00 0.00 32.23 33.30 2q4i h LYS 66 CO 0.46 0.49 -0.71 0.15 -0.57 0.00 0.00 179.45 179.27 2q4i s LYS 67 N -2.92 0.14 -0.31 3.15 1.02 -1.26 -4.08 119.74 115.48 2q4i s LYS 67 Ca 0.02 -0.26 -0.29 0.00 0.02 0.00 0.00 55.97 55.46 2q4i s LYS 67 Cb 0.08 0.03 0.02 0.00 -0.52 0.00 0.00 37.83 37.44 2q4i s LYS 67 CO 0.77 -0.02 1.08 0.50 -0.92 0.00 0.00 175.35 176.77 2q4i s ARG 68 N -0.61 4.08 -0.18 1.68 6.06 0.46 -1.33 118.95 129.10 2q4i s ARG 68 Ca -0.07 1.11 0.10 0.00 -2.50 0.00 0.00 55.73 54.37 2q4i s ARG 68 Cb -0.04 -3.73 -0.22 0.00 0.06 0.00 0.00 34.95 31.01 2q4i s ARG 68 CO -0.00 -0.89 0.11 1.33 -2.50 0.00 0.00 175.30 173.35 2q4i n VAL 69 N 5.83 1.50 0.00 7.11 0.24 -0.17 -1.99 118.33 130.86 2q4i n VAL 69 Ca 0.12 -0.74 0.00 0.00 -2.04 0.00 0.00 64.34 61.68 2q4i n VAL 69 Cb 0.47 -0.98 0.00 0.00 -1.47 0.00 0.00 33.84 31.86 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 1.90 -0.50 3.29 7.63 0.00 -0.12 -2.01 105.19 115.37 2q4i n GLY 70 Ca -0.34 0.16 -0.10 0.00 0.00 0.00 0.00 46.02 45.74 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 0.09 0.32 -0.61 -4.36 -1.10 -1.40 121.20 114.13 2q4i s ILE 71 Ca 0.00 -0.70 0.04 0.00 -0.26 0.00 0.00 60.65 59.73 2q4i s ILE 71 Cb 0.00 -1.18 -0.02 0.00 1.25 0.00 0.00 42.46 42.51 2q4i s ILE 71 CO 0.00 -0.39 0.47 0.42 0.24 0.00 0.00 174.94 175.69 2q4i s THR 72 N -3.66 4.71 -0.29 8.37 -4.23 -0.27 0.15 115.64 120.43 2q4i s THR 72 Ca 0.02 -0.82 -0.15 0.00 -1.18 0.00 0.00 61.69 59.57 2q4i s THR 72 Cb 0.02 -3.68 0.12 0.00 1.34 0.00 0.00 72.50 70.31 2q4i s THR 72 CO -0.11 -0.33 0.84 0.00 -0.54 0.00 0.00 174.62 174.49 2q4i s ALA 73 N -2.19 -2.17 0.00 3.99 0.00 0.18 -3.13 121.76 118.44 2q4i s ALA 73 Ca 0.40 2.28 0.00 0.00 0.00 0.00 0.00 51.96 54.64 2q4i s ALA 73 Cb -0.09 -1.67 0.00 0.00 0.00 0.00 0.00 23.12 21.36 2q4i s ALA 73 CO 0.32 -0.51 0.00 0.41 0.00 0.00 0.00 175.76 175.98 2q4i n GLY 74 N 4.30 -0.60 2.86 0.00 0.00 -0.87 -0.85 105.19 110.03 2q4i n GLY 74 Ca -0.17 -0.36 -0.14 0.00 0.00 0.00 0.00 46.02 45.35 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 1.35 -0.19 0.99 2.96 0.64 -0.69 118.68 123.74 2q4i s LEU 75 Ca 0.00 0.10 -0.07 0.00 -0.22 0.00 0.00 54.13 53.94 2q4i s LEU 75 Cb 0.00 0.09 -0.04 0.00 0.50 0.00 0.00 46.19 46.74 2q4i s LEU 75 CO 0.00 -0.08 0.05 0.00 -1.32 0.00 0.00 176.35 175.00 2q4i s VAL 77 N 0.54 4.06 0.31 0.00 1.01 0.13 0.70 120.40 127.15 2q4i s VAL 77 Ca 0.03 -0.54 -0.29 0.00 0.00 0.00 0.00 61.98 61.18 2q4i s VAL 77 Cb -0.13 -3.04 -0.10 0.00 0.00 0.00 0.00 36.38 33.11 2q4i s VAL 77 CO 0.01 0.16 1.34 -0.69 0.00 0.00 0.00 175.10 175.92 2q4i s VAL 78 N 1.53 2.71 -0.16 2.92 1.01 -0.79 0.51 120.40 128.13 2q4i s VAL 78 Ca 0.04 0.68 0.05 0.00 0.00 0.00 0.00 61.98 62.74 2q4i s VAL 78 Cb -0.16 -3.43 -0.13 0.00 0.00 0.00 0.00 36.38 32.65 2q4i s VAL 78 CO 0.03 0.15 -0.08 -0.38 0.00 0.00 0.00 175.10 174.81 2q4i n ILE 79 N 1.23 0.96 -3.80 2.22 2.08 0.40 -4.23 119.36 118.22 2q4i n ILE 79 Ca 0.02 -0.44 -0.04 0.00 0.56 0.00 0.00 62.75 62.85 2q4i n ILE 79 Cb 0.41 -0.95 -0.00 0.00 -0.75 0.00 0.00 39.64 38.36 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 -2.34 1.28 -0.07 0.38 -1.05 -0.97 -3.93 118.70 112.01 2q4i s GLU 80 Ca -0.17 -0.76 -0.05 0.00 -0.15 0.00 0.00 54.97 53.84 2q4i s GLU 80 Cb 0.05 0.40 -0.04 0.00 -0.44 0.00 0.00 34.13 34.11 2q4i s GLU 80 CO 0.45 -0.59 0.16 -1.58 0.95 0.00 0.00 175.26 174.65 2q4i s HIS 81 N -2.87 3.58 -0.52 4.83 5.65 -1.26 -1.08 115.29 123.62 2q4i s HIS 81 Ca 0.15 0.46 0.06 0.00 0.25 0.00 0.00 55.06 55.98 2q4i s HIS 81 Cb -0.02 -1.89 0.22 0.00 -1.18 0.00 0.00 32.58 29.71 2q4i s HIS 81 CO 0.04 0.70 0.56 0.28 -0.65 0.00 0.00 174.74 175.66 2q4i n VAL 82 N 1.51 0.53 -0.21 0.89 0.31 0.35 -4.89 118.33 116.82 2q4i n VAL 82 Ca -0.16 -4.42 0.22 0.00 -0.01 0.00 0.00 64.34 59.97 2q4i n VAL 82 Cb 0.54 -1.98 0.59 0.00 -0.91 0.00 0.00 33.84 32.07 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 4.55 0.25 0.00 5.55 0.13 -1.97 0.17 132.00 140.68 2q4i h PRO 83 Ca 0.16 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 2q4i h PRO 83 Cb 0.80 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 31.87 2q4i h PRO 83 CO 0.60 0.17 0.00 -0.85 -0.23 0.00 0.00 178.00 177.69 2q4i n GLU 84 N -4.43 0.18 0.00 0.86 0.00 -1.26 -1.92 120.64 114.07 2q4i n GLU 84 Ca 0.18 0.16 0.00 0.00 0.00 0.00 0.00 57.16 57.51 2q4i n GLU 84 Cb 0.77 -1.50 0.00 0.00 0.00 0.00 0.00 31.44 30.71 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 -1.31 0.76 -3.59 3.44 4.76 0.02 -5.01 118.16 117.24 2q4i n LYS 85 Ca 0.06 -0.88 -0.23 0.00 -2.87 0.00 0.00 58.31 54.40 2q4i n LYS 85 Cb 0.12 -0.94 0.04 0.00 -1.84 0.00 0.00 35.03 32.42 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 -0.20 -3.18 -3.32 1.97 5.02 -0.81 -4.83 118.16 112.80 2q4i n LYS 86 Ca 0.00 0.62 -0.00 0.00 -2.02 0.00 0.00 58.31 56.91 2q4i n LYS 86 Cb 0.15 -4.99 0.01 0.00 -0.02 0.00 0.00 35.03 30.18 2q4i n LYS 86 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2q4i n GLY 87 N -1.53 0.57 3.52 0.72 0.00 -1.13 -4.84 105.19 102.51 2q4i n GLY 87 Ca -0.19 -1.04 -0.24 0.00 0.00 0.00 0.00 46.02 44.55 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 -2.03 1.78 -0.05 1.61 0.41 -1.26 0.13 118.70 119.29 2q4i s GLU 88 Ca 0.19 -1.98 0.06 0.00 -0.41 0.00 0.00 54.97 52.84 2q4i s GLU 88 Cb -0.01 -1.25 -0.01 0.00 -1.78 0.00 0.00 34.13 31.07 2q4i s GLU 88 CO 0.02 -0.09 -0.25 0.50 -0.49 0.00 0.00 175.26 174.95 2q4i s ARG 89 N -3.79 2.42 0.14 1.61 3.52 -0.24 -3.08 118.95 119.54 2q4i s ARG 89 Ca 0.35 -0.90 0.05 0.00 -0.13 0.00 0.00 55.73 55.10 2q4i s ARG 89 Cb 0.08 -2.14 -0.04 0.00 -1.56 0.00 0.00 34.95 31.29 2q4i s ARG 89 CO 0.16 0.45 -0.11 -0.06 -0.81 0.00 0.00 175.30 174.94 2q4i s PHE 90 N -0.33 1.26 -0.18 5.12 0.08 -0.61 0.15 117.98 123.47 2q4i s PHE 90 Ca 0.02 -0.73 -0.03 0.00 0.12 0.00 0.00 56.93 56.31 2q4i s PHE 90 Cb -0.12 -0.64 -0.02 0.00 -0.57 0.00 0.00 43.02 41.67 2q4i s PHE 90 CO 0.02 0.08 -0.05 -2.00 -0.10 0.00 0.00 175.22 173.17 2q4i s GLU 91 N -3.55 3.49 -0.11 0.44 2.56 0.18 -1.49 118.70 120.23 2q4i s GLU 91 Ca 0.15 -0.60 -0.00 0.00 0.00 0.00 0.00 54.97 54.52 2q4i s GLU 91 Cb 0.01 -2.92 -0.02 0.00 2.00 0.00 0.00 34.13 33.20 2q4i s GLU 91 CO 0.01 0.02 -0.09 0.00 -0.56 0.00 0.00 175.26 174.64 2q4i s ALA 92 N 0.91 2.80 -0.33 6.30 0.00 0.12 0.17 121.76 131.73 2q4i s ALA 92 Ca -0.01 -0.88 0.03 0.00 0.00 0.00 0.00 51.96 51.09 2q4i s ALA 92 Cb -0.15 -1.27 0.10 0.00 0.00 0.00 0.00 23.12 21.81 2q4i s ALA 92 CO 0.01 0.36 0.06 0.99 0.00 0.00 0.00 175.76 177.18 2q4i s THR 93 N -0.06 1.84 0.21 0.00 2.01 0.41 -1.93 115.64 118.12 2q4i s THR 93 Ca -0.01 -2.05 -0.17 0.00 0.31 0.00 0.00 61.69 59.77 2q4i s THR 93 Cb -0.14 -2.37 0.02 0.00 0.01 0.00 0.00 72.50 70.02 2q4i s THR 93 CO 0.03 -0.62 0.52 -0.72 -0.69 0.00 0.00 174.62 173.14 2q4i s TYR 94 N 1.12 -0.03 0.18 4.92 -0.00 -1.17 -0.26 117.35 122.11 2q4i s TYR 94 Ca 0.11 -0.33 0.09 0.00 -0.00 0.00 0.00 57.07 56.94 2q4i s TYR 94 Cb -0.18 0.36 -0.04 0.00 -0.00 0.00 0.00 41.96 42.10 2q4i s TYR 94 CO -0.13 -0.94 -0.19 -1.12 -0.00 0.00 0.00 175.55 173.16 2q4i s SER 95 N -2.90 2.88 -0.20 -0.18 0.01 -0.03 -1.41 113.70 111.87 2q4i s SER 95 Ca 0.12 -0.88 -0.03 0.00 1.31 0.00 0.00 55.95 56.46 2q4i s SER 95 Cb -0.01 -0.18 -0.01 0.00 0.21 0.00 0.00 66.02 66.02 2q4i s SER 95 CO -0.00 -0.01 -0.05 -0.36 0.41 0.00 0.00 173.24 173.23 2q4i s PHE 96 N -2.06 2.95 -0.14 2.43 0.08 0.26 -0.65 117.98 120.85 2q4i s PHE 96 Ca 0.18 -0.78 -0.04 0.00 0.12 0.00 0.00 56.93 56.40 2q4i s PHE 96 Cb -0.06 -2.06 -0.03 0.00 -0.57 0.00 0.00 43.02 40.30 2q4i s PHE 96 CO 0.08 -0.42 0.01 0.71 -0.10 0.00 0.00 175.22 175.50 2q4i s TYR 97 N 1.18 3.15 -0.45 0.36 2.02 0.12 -1.24 117.35 122.50 2q4i s TYR 97 Ca 0.02 -0.01 0.04 0.00 -0.37 0.00 0.00 57.07 56.76 2q4i s TYR 97 Cb -0.14 -1.95 0.44 0.00 -0.40 0.00 0.00 41.96 39.90 2q4i s TYR 97 CO -0.01 0.20 1.39 1.19 -1.57 0.00 0.00 175.55 176.75 2q4i n PHE 98 N 3.08 3.04 -4.81 2.71 3.72 0.33 -2.72 117.46 122.81 2q4i n PHE 98 Ca -0.18 -2.62 0.00 0.00 -0.05 0.00 0.00 57.45 54.61 2q4i n PHE 98 Cb 0.53 -0.54 0.00 0.00 -0.94 0.00 0.00 39.48 38.53 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 -0.66 2.23 0.36 1.37 0.00 -0.85 -2.41 105.19 105.23 2q4i n GLY 99 Ca 0.47 -0.45 0.13 0.00 0.00 0.00 0.00 46.02 46.17 2q4i n GLY 99 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2q4i h ASP 100 N 9.26 0.35 -0.87 1.61 3.58 -0.55 -2.62 116.42 127.18 2q4i h ASP 100 Ca 0.00 0.01 0.16 0.00 0.42 0.00 0.00 57.03 57.62 2q4i h ASP 100 Cb 0.00 -0.06 -0.10 0.00 1.72 0.00 0.00 39.33 40.89 2q4i h ASP 100 CO 0.00 0.21 0.45 1.88 -2.88 0.00 0.00 179.24 178.89 2q4i h TYR 101 N 0.39 0.78 0.00 0.28 0.05 -1.73 -3.47 116.97 113.27 2q4i h TYR 101 Ca 0.29 0.04 0.00 0.00 0.05 0.00 0.00 58.73 59.11 2q4i h TYR 101 Cb 0.63 -0.21 0.00 0.00 1.01 0.00 0.00 36.73 38.16 2q4i h TYR 101 CO -0.00 0.15 0.00 0.41 -1.05 0.00 0.00 178.16 177.67 2q4i n GLY 102 N -1.33 0.35 3.63 3.88 0.00 -0.99 -0.87 105.19 109.86 2q4i n GLY 102 Ca 0.19 -1.41 -0.09 0.00 0.00 0.00 0.00 46.02 44.70 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 -2.35 -0.35 0.03 1.61 -3.43 -1.05 -0.51 115.29 109.24 2q4i s HIS 103 Ca 0.00 0.04 0.09 0.00 -0.80 0.00 0.00 55.06 54.39 2q4i s HIS 103 Cb 0.00 0.62 -0.03 0.00 -1.43 0.00 0.00 32.58 31.74 2q4i s HIS 103 CO 0.00 -0.95 -0.26 -0.51 -2.00 0.00 0.00 174.74 171.02 2q4i s LEU 104 N -2.80 2.16 0.09 5.38 1.43 -0.38 -2.21 118.68 122.35 2q4i s LEU 104 Ca 0.06 -0.56 0.10 0.00 -1.03 0.00 0.00 54.13 52.70 2q4i s LEU 104 Cb -0.03 -1.31 -0.04 0.00 0.03 0.00 0.00 46.19 44.85 2q4i s LEU 104 CO -0.04 0.27 -0.24 -0.44 0.23 0.00 0.00 176.35 176.13 2q4i s SER 105 N -1.13 3.41 0.16 2.29 0.01 -0.21 -0.58 113.70 117.65 2q4i s SER 105 Ca 0.11 -0.63 -0.01 0.00 1.31 0.00 0.00 55.95 56.74 2q4i s SER 105 Cb -0.10 -0.34 -0.04 0.00 0.21 0.00 0.00 66.02 65.75 2q4i s SER 105 CO 0.02 0.22 0.07 0.68 0.41 0.00 0.00 173.24 174.63 2q4i s VAL 106 N -0.97 0.14 -0.12 3.43 -7.23 -0.50 -0.02 120.40 115.13 2q4i s VAL 106 Ca 0.14 -1.94 -0.09 0.00 -1.81 0.00 0.00 61.98 58.27 2q4i s VAL 106 Cb -0.10 -2.19 0.04 0.00 0.56 0.00 0.00 36.38 34.69 2q4i s VAL 106 CO 0.05 -0.33 0.31 -1.58 -0.31 0.00 0.00 175.10 173.24 2q4i s GLN 107 N -4.07 0.33 0.00 4.82 2.00 -0.64 -3.07 119.66 119.03 2q4i s GLN 107 Ca 0.28 0.49 0.00 0.00 -2.00 0.00 0.00 55.36 54.13 2q4i s GLN 107 Cb 0.07 0.09 0.00 0.00 0.80 0.00 0.00 33.01 33.97 2q4i s GLN 107 CO 0.05 -0.08 0.00 0.41 -0.50 0.00 0.00 175.29 175.17 2q4i n GLY 108 N 3.35 -0.08 3.73 2.59 0.00 -0.81 -0.75 105.19 113.21 2q4i n GLY 108 Ca -0.17 -1.34 -0.40 0.00 0.00 0.00 0.00 46.02 44.11 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 4.49 -0.27 1.61 0.04 -1.26 0.14 135.00 137.75 2q4i s PRO 109 Ca 0.00 1.07 0.00 0.00 0.04 0.00 0.00 61.00 62.11 2q4i s PRO 109 Cb 0.00 -3.41 0.05 0.00 0.04 0.00 0.00 34.50 31.18 2q4i s PRO 109 CO 0.00 0.15 -0.07 -0.47 0.04 0.00 0.00 177.00 176.66 2q4i s TYR 110 N 0.40 3.20 -0.29 0.56 5.04 -0.55 -4.71 117.35 120.99 2q4i s TYR 110 Ca 0.40 -1.99 -0.07 0.00 -2.44 0.00 0.00 57.07 52.98 2q4i s TYR 110 Cb -0.20 -2.01 0.01 0.00 0.35 0.00 0.00 41.96 40.11 2q4i s TYR 110 CO 0.22 -0.82 0.08 -0.51 -1.34 0.00 0.00 175.55 173.18 2q4i s LEU 111 N 1.21 3.84 0.51 6.97 2.01 -1.26 -1.57 118.68 130.39 2q4i s LEU 111 Ca -0.05 -0.68 0.34 0.00 0.01 0.00 0.00 54.13 53.75 2q4i s LEU 111 Cb -0.19 -1.89 1.58 0.00 0.01 0.00 0.00 46.19 45.70 2q4i s LEU 111 CO -0.04 -0.19 2.02 0.71 1.01 0.00 0.00 176.35 179.86 2q4i h THR 112 N 5.84 0.00 -0.23 5.49 1.35 -1.95 -2.97 112.91 120.44 2q4i h THR 112 Ca -0.32 -0.27 0.00 0.00 -0.55 0.00 0.00 66.41 65.27 2q4i h THR 112 Cb 1.13 1.18 0.00 0.00 -1.73 0.00 0.00 68.15 68.73 2q4i h THR 112 CO 0.60 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.87 2q4i n TYR 113 N -2.86 0.29 -3.64 4.73 0.18 -1.26 -4.97 117.16 109.63 2q4i n TYR 113 Ca -0.00 -0.19 -0.06 0.00 1.88 0.00 0.00 57.90 59.53 2q4i n TYR 113 Cb 0.20 -0.00 -0.07 0.00 -0.38 0.00 0.00 39.34 39.09 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 -1.34 0.43 0.90 -3.48 -1.05 -1.12 -5.13 118.70 107.91 2q4i s GLU 114 Ca 0.28 0.60 -0.15 0.00 -0.15 0.00 0.00 54.97 55.55 2q4i s GLU 114 Cb 0.17 0.16 -0.07 0.00 -0.44 0.00 0.00 34.13 33.96 2q4i s GLU 114 CO 0.24 -0.07 -0.11 -0.25 0.95 0.00 0.00 175.26 176.02 2q4i n ASP 115 N 2.84 -3.70 -3.92 0.83 8.00 -1.26 -4.40 116.55 114.93 2q4i n ASP 115 Ca -0.15 0.33 -0.11 0.00 0.71 0.00 0.00 54.79 55.58 2q4i n ASP 115 Cb 0.57 -1.00 -0.06 0.00 -0.02 0.00 0.00 41.12 40.61 2q4i n ASP 115 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 2q4i s SER 116 N -1.44 0.11 -0.03 -2.24 1.04 -0.28 -4.92 113.70 105.94 2q4i s SER 116 Ca 0.51 -1.11 0.04 0.00 0.48 0.00 0.00 55.95 55.87 2q4i s SER 116 Cb -0.24 0.56 -0.03 0.00 0.10 0.00 0.00 66.02 66.41 2q4i s SER 116 CO 0.72 -1.10 -0.14 -0.36 0.98 0.00 0.00 173.24 173.34 2q4i s PHE 117 N -3.89 2.69 0.34 5.02 0.08 -1.26 0.61 117.98 121.57 2q4i s PHE 117 Ca 0.27 -0.17 0.09 0.00 0.12 0.00 0.00 56.93 57.24 2q4i s PHE 117 Cb 0.01 -1.60 -0.05 0.00 -0.57 0.00 0.00 43.02 40.82 2q4i s PHE 117 CO 0.11 0.21 0.08 -0.51 -0.10 0.00 0.00 175.22 175.02 2q4i s LEU 118 N -0.92 3.15 -0.22 -0.37 1.02 0.13 -4.40 118.68 117.08 2q4i s LEU 118 Ca 0.13 -0.85 -0.22 0.00 0.02 0.00 0.00 54.13 53.21 2q4i s LEU 118 Cb -0.11 -1.58 -0.02 0.00 0.02 0.00 0.00 46.19 44.50 2q4i s LEU 118 CO 0.02 -0.25 0.68 0.00 0.02 0.00 0.00 176.35 176.81 2q4i s ALA 119 N -2.46 3.57 -0.26 4.21 0.00 0.07 -1.39 121.76 125.51 2q4i s ALA 119 Ca 0.36 -0.27 -0.29 0.00 0.00 0.00 0.00 51.96 51.76 2q4i s ALA 119 Cb -0.02 -3.06 -0.00 0.00 0.00 0.00 0.00 23.12 20.04 2q4i s ALA 119 CO 0.21 -0.69 1.25 0.42 0.00 0.00 0.00 175.76 176.95 2q4i s ILE 120 N 2.23 4.26 -0.62 0.00 1.01 -1.00 -1.63 121.20 125.45 2q4i s ILE 120 Ca 0.30 1.46 0.24 0.00 0.00 0.00 0.00 60.65 62.65 2q4i s ILE 120 Cb -0.16 -4.16 0.01 0.00 0.01 0.00 0.00 42.46 38.16 2q4i s ILE 120 CO 0.10 -0.37 1.24 0.35 0.00 0.00 0.00 174.94 176.26 2q4i n THR 121 N 5.89 0.32 0.00 2.92 -2.24 0.97 -3.92 114.28 118.22 2q4i n THR 121 Ca 0.14 -0.27 0.00 0.00 -2.27 0.00 0.00 64.05 61.65 2q4i n THR 121 Cb 0.46 -0.05 0.00 0.00 -2.10 0.00 0.00 70.33 68.64 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 1.34 -0.38 0.95 3.38 0.00 -1.22 -4.99 105.19 104.27 2q4i n GLY 122 Ca 0.03 -1.35 -0.03 0.00 0.00 0.00 0.00 46.02 44.67 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 -1.09 2.04 3.25 -0.02 0.00 -1.24 -1.05 105.19 107.08 2q4i n GLY 123 Ca 0.00 -1.17 -0.10 0.00 0.00 0.00 0.00 46.02 44.75 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 -1.44 -0.57 0.00 4.61 0.00 -0.94 -4.23 121.76 119.18 2q4i s ALA 124 Ca 0.05 -0.27 0.00 0.00 0.00 0.00 0.00 51.96 51.74 2q4i s ALA 124 Cb -0.01 0.51 0.00 0.00 0.00 0.00 0.00 23.12 23.62 2q4i s ALA 124 CO 0.04 -0.53 0.00 0.41 0.00 0.00 0.00 175.76 175.68 2q4i n GLY 125 N 0.06 0.68 0.21 0.00 0.00 -1.26 -2.53 105.19 102.35 2q4i n GLY 125 Ca -0.16 -0.69 0.15 0.00 0.00 0.00 0.00 46.02 45.31 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 -0.53 -0.61 3.07 -1.34 -1.86 117.51 116.24 2q4i h ILE 126 Ca 0.00 -0.17 0.00 0.00 1.55 0.00 0.00 64.86 66.24 2q4i h ILE 126 Cb 0.00 0.93 0.00 0.00 -0.27 0.00 0.00 36.82 37.48 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 -2.57 1.09 -1.81 0.16 3.72 -1.12 -4.47 117.46 112.46 2q4i n PHE 127 Ca -0.00 -0.45 -0.42 0.00 -0.05 0.00 0.00 57.45 56.53 2q4i n PHE 127 Cb 0.15 -0.16 -0.02 0.00 -0.94 0.00 0.00 39.48 38.52 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 4.14 0.00 -1.08 -6.30 -0.70 -1.05 118.70 112.06 2q4i s GLU 128 Ca 0.40 2.54 0.00 0.00 -2.50 0.00 0.00 54.97 55.41 2q4i s GLU 128 Cb 0.25 -3.05 0.00 0.00 0.00 0.00 0.00 34.13 31.32 2q4i s GLU 128 CO 0.21 -0.63 0.00 0.41 0.02 0.00 0.00 175.26 175.27 2q4i n GLY 129 N 2.61 1.19 3.74 -1.50 0.00 -1.26 -4.38 105.19 105.58 2q4i n GLY 129 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.53 1.82 -3.08 4.61 0.00 -0.22 -4.40 120.51 118.71 2q4i n ALA 130 Ca 0.00 0.34 -0.09 0.00 0.00 0.00 0.00 53.44 53.69 2q4i n ALA 130 Cb 0.00 -2.34 -0.05 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 -1.11 0.21 -2.79 0.00 -0.85 -0.39 -3.95 117.35 108.47 2q4i s TYR 131 Ca 0.55 -0.57 0.00 0.00 -0.52 0.00 0.00 57.07 56.53 2q4i s TYR 131 Cb -0.52 0.18 0.00 0.00 0.38 0.00 0.00 41.96 42.00 2q4i s TYR 131 CO 0.63 -0.88 0.00 0.41 -1.52 0.00 0.00 175.55 174.18 2q4i n GLY 132 N -0.32 0.55 3.38 5.49 0.00 -1.25 -0.96 105.19 112.08 2q4i n GLY 132 Ca -0.06 -1.65 -0.10 0.00 0.00 0.00 0.00 46.02 44.22 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 -1.48 1.19 -0.00 1.61 -2.07 -1.16 -2.36 119.66 115.39 2q4i s GLN 133 Ca 0.00 -1.05 0.01 0.00 -1.82 0.00 0.00 55.36 52.50 2q4i s GLN 133 Cb 0.00 0.42 -0.00 0.00 -1.09 0.00 0.00 33.01 32.34 2q4i s GLN 133 CO 0.00 -0.46 -0.02 0.54 -1.32 0.00 0.00 175.29 174.03 2q4i s VAL 134 N -3.93 0.18 -0.01 3.63 0.11 -0.48 -1.21 120.40 118.69 2q4i s VAL 134 Ca 0.13 -0.09 -0.20 0.00 -2.93 0.00 0.00 61.98 58.89 2q4i s VAL 134 Cb 0.02 -0.16 -0.05 0.00 -1.53 0.00 0.00 36.38 34.66 2q4i s VAL 134 CO -0.02 0.06 0.59 -0.75 -3.33 0.00 0.00 175.10 171.64 2q4i s LYS 135 N 0.01 4.30 -0.27 1.54 2.20 -0.24 0.23 119.74 127.51 2q4i s LYS 135 Ca 0.00 0.72 -0.04 0.00 -0.36 0.00 0.00 55.97 56.29 2q4i s LYS 135 Cb -0.02 -3.34 0.02 0.00 -1.51 0.00 0.00 37.83 32.99 2q4i s LYS 135 CO -0.00 0.37 -0.00 -1.17 -0.36 0.00 0.00 175.35 174.19 2q4i s LEU 136 N -0.19 3.52 -0.23 5.43 0.20 0.20 -1.18 118.68 126.43 2q4i s LEU 136 Ca 0.31 -0.86 0.02 0.00 0.69 0.00 0.00 54.13 54.28 2q4i s LEU 136 Cb -0.18 -1.75 0.04 0.00 -0.43 0.00 0.00 46.19 43.87 2q4i s LEU 136 CO 0.17 -0.17 -0.14 -1.10 -0.29 0.00 0.00 176.35 174.82 2q4i s GLN 137 N 1.38 2.56 0.01 1.98 -0.21 -0.53 -1.13 119.66 123.72 2q4i s GLN 137 Ca 0.00 -1.13 -0.21 0.00 0.02 0.00 0.00 55.36 54.05 2q4i s GLN 137 Cb -0.17 -2.78 -0.05 0.00 1.00 0.00 0.00 33.01 31.01 2q4i s GLN 137 CO -0.01 -0.42 0.61 -1.14 -2.12 0.00 0.00 175.29 172.20 2q4i s GLN 138 N 1.19 4.32 -0.08 2.91 0.74 -1.26 -1.10 119.66 126.38 2q4i s GLN 138 Ca -0.03 0.76 -0.08 0.00 0.05 0.00 0.00 55.36 56.07 2q4i s GLN 138 Cb -0.17 -3.34 -0.03 0.00 1.10 0.00 0.00 33.01 30.58 2q4i s GLN 138 CO -0.08 0.38 -0.15 1.28 -0.55 0.00 0.00 175.29 176.18 2q4i n LEU 139 N 2.65 0.94 -4.50 3.68 4.77 -0.31 -4.94 117.00 119.28 2q4i n LEU 139 Ca -0.07 0.24 -0.34 0.00 -0.03 0.00 0.00 56.01 55.82 2q4i n LEU 139 Cb 0.51 -0.64 -0.12 0.00 -2.33 0.00 0.00 43.42 40.84 2q4i n LEU 139 CO 0.44 -0.42 -0.37 -0.69 -1.33 0.00 0.00 177.39 175.02 2q4i s VAL 140 N -1.84 3.73 -0.29 4.08 1.01 -1.15 -4.75 120.40 121.19 2q4i s VAL 140 Ca -0.12 -0.43 -0.26 0.00 0.00 0.00 0.00 61.98 61.17 2q4i s VAL 140 Cb 0.02 -2.60 0.01 0.00 0.00 0.00 0.00 36.38 33.80 2q4i s VAL 140 CO 0.18 0.52 0.93 -0.47 0.00 0.00 0.00 175.10 176.26 2q4i s TYR 141 N 0.10 3.23 -0.16 5.22 5.04 -1.26 -1.60 117.35 127.92 2q4i s TYR 141 Ca -0.02 1.09 0.15 0.00 -2.44 0.00 0.00 57.07 55.86 2q4i s TYR 141 Cb -0.14 -3.35 0.35 0.00 0.35 0.00 0.00 41.96 39.17 2q4i s TYR 141 CO 0.03 -0.59 1.18 -0.35 -1.34 0.00 0.00 175.55 174.48 2q4i n PRO 142 N 6.40 1.40 0.07 4.97 -0.04 -1.26 -4.97 135.00 141.57 2q4i n PRO 142 Ca 0.08 -2.88 -0.05 0.00 -0.04 0.00 0.00 63.50 60.61 2q4i n PRO 142 Cb 0.47 -1.53 0.14 0.00 -0.04 0.00 0.00 33.50 32.54 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 0.54 1.35 -3.61 0.52 1.35 -1.65 -3.45 112.91 107.96 2q4i h THR 143 Ca -0.00 -1.80 -0.53 0.00 -0.55 0.00 0.00 66.41 63.53 2q4i h THR 143 Cb 1.01 1.85 -0.32 0.00 -1.73 0.00 0.00 68.15 68.96 2q4i h THR 143 CO 0.00 0.54 -0.82 -0.54 -0.25 0.00 0.00 175.52 174.45 2q4i s LYS 144 N -3.93 1.71 0.02 4.72 1.02 -1.05 0.29 119.74 122.51 2q4i s LYS 144 Ca -0.05 -0.49 -0.03 0.00 0.02 0.00 0.00 55.97 55.43 2q4i s LYS 144 Cb 0.12 -1.44 -0.01 0.00 -0.52 0.00 0.00 37.83 35.98 2q4i s LYS 144 CO 0.80 0.11 0.03 -0.51 -0.92 0.00 0.00 175.35 174.87 2q4i s LEU 145 N 0.39 1.99 -0.05 3.17 1.02 -0.33 -1.17 118.68 123.70 2q4i s LEU 145 Ca -0.10 -0.40 0.05 0.00 0.02 0.00 0.00 54.13 53.69 2q4i s LEU 145 Cb -0.14 0.32 -0.00 0.00 0.02 0.00 0.00 46.19 46.39 2q4i s LEU 145 CO 0.03 -0.34 -0.20 0.12 0.02 0.00 0.00 176.35 175.99 2q4i s PHE 146 N -1.51 1.98 -0.01 0.29 5.36 -0.26 -0.58 117.98 123.26 2q4i s PHE 146 Ca -0.15 -0.61 0.07 0.00 -0.96 0.00 0.00 56.93 55.27 2q4i s PHE 146 Cb -0.09 -1.33 -0.03 0.00 -0.34 0.00 0.00 43.02 41.24 2q4i s PHE 146 CO -0.00 -0.21 -0.21 0.71 -1.46 0.00 0.00 175.22 174.05 2q4i s TYR 147 N 0.06 2.50 -0.38 10.12 2.02 -0.65 -1.45 117.35 129.56 2q4i s TYR 147 Ca -0.06 -0.31 0.03 0.00 -0.37 0.00 0.00 57.07 56.36 2q4i s TYR 147 Cb -0.13 -1.52 0.11 0.00 -0.40 0.00 0.00 41.96 40.02 2q4i s TYR 147 CO 0.03 0.12 0.12 0.99 -1.57 0.00 0.00 175.55 175.24 2q4i s THR 148 N -0.75 2.04 -0.05 -0.71 2.01 -0.32 -2.92 115.64 114.95 2q4i s THR 148 Ca 0.12 -2.41 -0.30 0.00 0.31 0.00 0.00 61.69 59.41 2q4i s THR 148 Cb -0.10 -2.49 -0.02 0.00 0.01 0.00 0.00 72.50 69.90 2q4i s THR 148 CO 0.01 -0.68 1.02 -0.36 -0.69 0.00 0.00 174.62 173.93 2q4i s PHE 149 N 0.72 3.55 -0.40 4.92 0.08 -0.65 -1.07 117.98 125.13 2q4i s PHE 149 Ca 0.13 1.59 -0.09 0.00 0.12 0.00 0.00 56.93 58.68 2q4i s PHE 149 Cb -0.21 -3.19 0.06 0.00 -0.57 0.00 0.00 43.02 39.11 2q4i s PHE 149 CO -0.08 -0.28 0.22 0.71 -0.10 0.00 0.00 175.22 175.69 2q4i s TYR 150 N 1.54 3.31 -0.23 0.36 2.02 -0.35 -1.59 117.35 122.41 2q4i s TYR 150 Ca 0.51 -1.39 -0.02 0.00 -0.37 0.00 0.00 57.07 55.80 2q4i s TYR 150 Cb -0.21 -2.73 0.01 0.00 -0.40 0.00 0.00 41.96 38.63 2q4i s TYR 150 CO 0.23 -0.79 -0.08 -0.51 -1.57 0.00 0.00 175.55 172.84 2q4i s LEU 151 N 1.45 2.91 0.32 -1.29 1.43 -0.30 -2.97 118.68 120.23 2q4i s LEU 151 Ca 0.02 -0.65 0.08 0.00 -1.03 0.00 0.00 54.13 52.55 2q4i s LEU 151 Cb -0.22 -1.66 -0.04 0.00 0.03 0.00 0.00 46.19 44.31 2q4i s LEU 151 CO 0.03 -0.07 0.19 -0.54 0.23 0.00 0.00 176.35 176.20 2q4i s LYS 152 N 1.38 2.56 0.00 1.70 1.02 -0.14 -1.03 119.74 125.24 2q4i s LYS 152 Ca 0.03 -1.38 0.00 0.00 0.02 0.00 0.00 55.97 54.64 2q4i s LYS 152 Cb -0.15 -2.33 0.00 0.00 -0.52 0.00 0.00 37.83 34.83 2q4i s LYS 152 CO -0.05 0.16 0.00 0.41 -0.92 0.00 0.00 175.35 174.95 2q4i n GLY 153 N -1.22 0.73 3.77 -3.33 0.00 -1.26 -1.26 105.19 102.62 2q4i n GLY 153 Ca -0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.60 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 4.31 0.00 0.99 1.02 -1.26 -4.37 118.68 119.36 2q4i s LEU 154 Ca 0.00 2.37 0.17 0.00 0.02 0.00 0.00 54.13 56.69 2q4i s LEU 154 Cb 0.00 -3.88 0.90 0.00 0.02 0.00 0.00 46.19 43.23 2q4i s LEU 154 CO 0.00 -0.53 1.51 0.00 0.02 0.00 0.00 176.35 177.35 2q4i n ALA 155 N 0.42 1.98 -3.77 4.21 0.00 -1.26 -4.87 120.51 117.21 2q4i n ALA 155 Ca 0.02 -0.09 -0.08 0.00 0.00 0.00 0.00 53.44 53.30 2q4i n ALA 155 Cb 0.45 -1.28 -0.01 0.00 0.00 0.00 0.00 19.45 18.61 2q4i n ALA 155 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2q4i s ASN 156 N -2.48 -0.14 0.52 0.00 0.01 -1.26 -5.15 114.94 106.43 2q4i s ASN 156 Ca 0.18 -0.82 -0.19 0.00 -0.71 0.00 0.00 52.86 51.32 2q4i s ASN 156 Cb 0.12 0.76 -0.07 0.00 0.41 0.00 0.00 41.25 42.46 2q4i s ASN 156 CO 0.25 -1.44 1.07 -1.81 -1.51 0.00 0.00 177.10 173.67 2q4i s ASP 157 N -2.98 6.06 0.26 -1.22 1.11 -1.26 -5.00 116.67 113.65 2q4i s ASP 157 Ca 0.14 2.00 -0.30 0.00 0.18 0.00 0.00 52.55 54.57 2q4i s ASP 157 Cb -0.05 -2.56 -0.10 0.00 1.07 0.00 0.00 42.92 41.28 2q4i s ASP 157 CO 0.09 -0.98 1.30 -0.76 1.18 0.00 0.00 175.17 176.01 2q4i s LEU 158 N -3.71 4.43 0.29 1.23 1.43 -1.26 -4.98 118.68 116.11 2q4i s LEU 158 Ca 0.69 2.53 -0.30 0.00 -1.03 0.00 0.00 54.13 56.02 2q4i s LEU 158 Cb -0.19 -3.63 -0.12 0.00 0.03 0.00 0.00 46.19 42.28 2q4i s LEU 158 CO 0.24 -0.51 1.44 -2.65 0.23 0.00 0.00 176.35 175.10 2q4i n PRO 159 N 1.77 2.30 -0.06 1.29 -0.02 -1.26 -4.89 135.00 134.13 2q4i n PRO 159 Ca 0.03 0.81 0.15 0.00 -2.02 0.00 0.00 63.50 62.48 2q4i n PRO 159 Cb 0.42 -2.49 0.58 0.00 -0.02 0.00 0.00 33.50 31.98 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 3.89 0.22 -2.07 2.45 3.38 -1.98 -0.11 115.31 121.09 2q4i h LEU 160 Ca -0.46 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.52 2q4i h LEU 160 Cb 1.26 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.97 2q4i h LEU 160 CO 0.73 0.13 0.00 1.05 0.09 0.00 0.00 178.44 180.43 2q4i h GLU 161 N 0.25 0.00 -0.13 1.13 4.11 -2.02 -0.22 114.58 117.70 2q4i h GLU 161 Ca 0.28 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.71 2q4i h GLU 161 Cb 0.75 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.00 2q4i h GLU 161 CO -0.06 0.00 0.00 1.28 0.07 0.00 0.00 179.01 180.30 2q4i n LEU 162 N -2.84 3.07 -0.19 3.06 4.77 -0.06 -4.50 117.00 120.32 2q4i n LEU 162 Ca -0.01 -1.11 0.02 0.00 -0.03 0.00 0.00 56.01 54.88 2q4i n LEU 162 Cb 0.14 -0.07 0.06 0.00 -2.33 0.00 0.00 43.42 41.22 2q4i n LEU 162 CO 0.20 0.56 0.54 0.35 -1.33 0.00 0.00 177.39 177.71 2q4i n THR 163 N 1.34 1.12 -1.38 -5.08 -2.24 -0.10 -4.58 114.28 103.36 2q4i n THR 163 Ca 0.16 -1.14 -0.36 0.00 -2.27 0.00 0.00 64.05 60.44 2q4i n THR 163 Cb 0.59 0.41 0.07 0.00 -2.10 0.00 0.00 70.33 69.31 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 -0.34 -0.93 3.67 3.38 0.00 -1.20 -4.81 105.19 104.97 2q4i n GLY 164 Ca 0.05 -0.30 -0.49 0.00 0.00 0.00 0.00 46.02 45.28 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 -2.25 0.34 -1.95 2.61 -1.04 -1.26 -4.24 114.28 106.49 2q4i n THR 165 Ca 0.12 -0.06 -0.41 0.00 -2.04 0.00 0.00 64.05 61.66 2q4i n THR 165 Cb 0.49 -1.63 -0.01 0.00 -1.82 0.00 0.00 70.33 67.36 2q4i n THR 165 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 2q4i s PRO 166 N 2.84 4.23 0.59 -2.82 0.02 -1.26 -3.95 135.00 134.66 2q4i s PRO 166 Ca 0.89 2.39 -0.20 0.00 0.02 0.00 0.00 61.00 64.10 2q4i s PRO 166 Cb -0.75 -3.03 -0.03 0.00 0.02 0.00 0.00 34.50 30.70 2q4i s PRO 166 CO 0.49 -0.39 1.31 0.08 -0.33 0.00 0.00 177.00 178.15 2q4i s VAL 167 N -0.87 2.17 0.07 3.83 1.01 0.24 -4.88 120.40 121.98 2q4i s VAL 167 Ca 0.53 0.11 -0.31 0.00 0.00 0.00 0.00 61.98 62.32 2q4i s VAL 167 Cb -0.43 -3.05 -0.09 0.00 0.00 0.00 0.00 36.38 32.81 2q4i s VAL 167 CO 0.55 -0.01 1.77 -2.84 0.00 0.00 0.00 175.10 174.56 2q4i s PRO 168 N -3.15 4.17 0.16 2.72 0.02 -1.26 -4.92 135.00 132.73 2q4i s PRO 168 Ca 0.77 2.46 -0.30 0.00 0.02 0.00 0.00 61.00 63.94 2q4i s PRO 168 Cb -0.37 -3.72 -0.08 0.00 0.02 0.00 0.00 34.50 30.34 2q4i s PRO 168 CO 0.42 -0.82 1.30 -2.14 -0.33 0.00 0.00 177.00 175.43 2q4i s PRO 169 N 3.09 4.40 0.13 5.54 0.02 -1.26 -4.83 135.00 142.09 2q4i s PRO 169 Ca 0.79 2.00 -0.25 0.00 0.02 0.00 0.00 61.00 63.55 2q4i s PRO 169 Cb -0.42 -3.23 0.07 0.00 0.02 0.00 0.00 34.50 30.94 2q4i s PRO 169 CO 0.35 -0.27 0.92 -1.54 -0.33 0.00 0.00 177.00 176.13 2q4i s SER 170 N 0.55 -0.24 0.06 2.53 1.04 -1.26 -5.02 113.70 111.37 2q4i s SER 170 Ca 0.58 -0.31 0.09 0.00 0.48 0.00 0.00 55.95 56.78 2q4i s SER 170 Cb -0.35 0.48 0.41 0.00 0.10 0.00 0.00 66.02 66.67 2q4i s SER 170 CO 0.35 -0.87 1.28 2.29 0.98 0.00 0.00 173.24 177.27 2q4i n LYS 171 N -0.42 0.03 0.00 4.02 2.85 -1.26 -2.81 118.16 120.57 2q4i n LYS 171 Ca -0.07 0.44 0.13 0.00 -1.05 0.00 0.00 58.31 57.76 2q4i n LYS 171 Cb 0.61 -1.59 0.31 0.00 -0.65 0.00 0.00 35.03 33.71 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 -1.66 1.89 -4.74 -5.58 8.00 -1.26 -4.87 116.55 108.33 2q4i n ASP 172 Ca 0.01 -1.52 -0.38 0.00 0.71 0.00 0.00 54.79 53.61 2q4i n ASP 172 Cb 0.07 0.09 0.05 0.00 -0.02 0.00 0.00 41.12 41.32 2q4i n ASP 172 CO 0.00 0.00 0.00 2.30 -0.39 0.00 0.00 177.20 179.11 2q4i n ILE 173 N 0.31 4.34 -3.86 0.53 -6.64 -1.13 -5.02 119.36 107.89 2q4i n ILE 173 Ca 0.15 -0.50 -0.11 0.00 -1.77 0.00 0.00 62.75 60.52 2q4i n ILE 173 Cb 0.44 -1.60 -0.11 0.00 -1.44 0.00 0.00 39.64 36.93 2q4i n ILE 173 CO 0.00 0.00 0.00 -1.61 -1.77 0.00 0.00 176.55 173.17 2q4i s GLU 174 N -3.10 0.37 0.72 6.28 0.41 -1.26 -5.08 118.70 117.04 2q4i s GLU 174 Ca 0.76 -0.22 -0.12 0.00 -0.41 0.00 0.00 54.97 54.98 2q4i s GLU 174 Cb -0.40 0.16 0.03 0.00 -1.78 0.00 0.00 34.13 32.14 2q4i s GLU 174 CO 0.45 -0.08 1.09 -1.25 -0.49 0.00 0.00 175.26 174.99 2q4i s PRO 175 N -0.92 2.53 0.59 0.39 0.04 -1.26 -4.92 135.00 131.45 2q4i s PRO 175 Ca -0.10 1.22 -0.20 0.00 0.04 0.00 0.00 61.00 61.95 2q4i s PRO 175 Cb -0.06 -1.93 -0.03 0.00 0.04 0.00 0.00 34.50 32.53 2q4i s PRO 175 CO 0.01 -1.44 1.34 0.00 0.04 0.00 0.00 177.00 176.95 2q4i s ALA 176 N -2.73 2.63 0.26 8.56 0.00 0.27 -4.75 121.76 126.00 2q4i s ALA 176 Ca 0.63 1.30 -0.01 0.00 0.00 0.00 0.00 51.96 53.88 2q4i s ALA 176 Cb -0.18 -3.57 0.52 0.00 0.00 0.00 0.00 23.12 19.89 2q4i s ALA 176 CO 0.51 -1.50 1.77 -1.35 0.00 0.00 0.00 175.76 175.19 2q4i h PRO 177 N 1.05 0.64 -0.25 0.00 0.11 -1.93 0.55 132.00 132.18 2q4i h PRO 177 Ca -0.51 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 65.53 2q4i h PRO 177 Cb 1.32 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 2q4i h PRO 177 CO 0.55 0.42 0.01 0.93 -0.21 0.00 0.00 178.00 179.71 2q4i h GLU 178 N 0.66 0.36 0.11 1.05 3.07 -1.90 -0.94 114.58 116.99 2q4i h GLU 178 Ca 0.46 -0.06 -0.23 0.00 -0.50 0.00 0.00 59.36 59.03 2q4i h GLU 178 Cb 0.61 -0.06 0.02 0.00 -0.84 0.00 0.00 28.75 28.48 2q4i h GLU 178 CO -0.34 0.38 -0.95 0.00 -1.40 0.00 0.00 179.01 176.70 2q4i h ALA 179 N 1.66 -0.03 -0.10 3.43 0.00 -1.04 -0.51 119.26 122.68 2q4i h ALA 179 Ca 0.08 -0.70 -0.07 0.00 0.00 0.00 0.00 54.91 54.22 2q4i h ALA 179 Cb 0.22 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 2q4i h ALA 179 CO 0.00 0.49 -0.27 -0.22 0.00 0.00 0.00 179.25 179.26 2q4i h LYS 180 N -0.05 0.18 -0.01 0.00 3.64 -1.08 -2.74 116.57 116.51 2q4i h LYS 180 Ca -0.15 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.17 2q4i h LYS 180 Cb 1.69 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.49 2q4i h LYS 180 CO 0.18 0.44 -0.03 0.00 -2.27 0.00 0.00 179.45 177.77 2q4i n ALA 181 N -2.48 2.65 -2.11 5.00 0.00 -0.37 -4.93 120.51 118.27 2q4i n ALA 181 Ca -0.01 -0.37 -0.19 0.00 0.00 0.00 0.00 53.44 52.86 2q4i n ALA 181 Cb 0.36 -1.25 -0.03 0.00 0.00 0.00 0.00 19.45 18.52 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 -0.23 -1.73 -4.78 0.00 4.77 -0.90 -4.96 117.00 109.18 2q4i n LEU 182 Ca 0.19 0.14 -0.35 0.00 -0.03 0.00 0.00 56.01 55.97 2q4i n LEU 182 Cb 0.29 -2.73 0.01 0.00 -2.33 0.00 0.00 43.42 38.66 2q4i n LEU 182 CO 0.18 -0.46 0.77 -1.61 -1.33 0.00 0.00 177.39 174.94 2q4i s GLU 183 N -4.53 3.31 0.31 3.23 2.02 -0.25 -4.82 118.70 117.96 2q4i s GLU 183 Ca 0.00 1.56 0.05 0.00 0.02 0.00 0.00 54.97 56.59 2q4i s GLU 183 Cb 0.00 -2.00 0.82 0.00 0.10 0.00 0.00 34.13 33.05 2q4i s GLU 183 CO 0.00 -0.87 1.62 -1.35 0.02 0.00 0.00 175.26 174.67 2q4i h PRO 184 N 1.04 0.12 0.00 0.39 0.11 -1.93 0.70 132.00 132.43 2q4i h PRO 184 Ca -0.49 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2q4i h PRO 184 Cb 1.26 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.34 2q4i h PRO 184 CO 0.57 0.08 0.00 -1.13 -0.21 0.00 0.00 178.00 177.31 2q4i n SER 185 N -5.30 0.00 -0.77 -2.05 3.41 -1.26 -2.88 113.62 104.77 2q4i n SER 185 Ca 0.24 0.01 0.07 0.00 -0.26 0.00 0.00 58.87 58.94 2q4i n SER 185 Cb 0.80 -0.31 0.17 0.00 -0.26 0.00 0.00 64.21 64.62 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 2.34 3.24 5.00 0.00 0.24 -4.86 105.19 111.81 2q4i n GLY 186 Ca 0.10 -0.46 -0.13 0.00 0.00 0.00 0.00 46.02 45.52 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 -1.02 0.54 0.51 1.61 -7.23 -1.14 -0.40 120.40 113.27 2q4i s VAL 187 Ca 0.28 -1.97 0.06 0.00 -1.81 0.00 0.00 61.98 58.53 2q4i s VAL 187 Cb 0.15 -2.21 0.04 0.00 0.56 0.00 0.00 36.38 34.92 2q4i s VAL 187 CO 0.20 -0.37 0.71 0.27 -0.31 0.00 0.00 175.10 175.59 2q4i s ILE 188 N -3.75 2.67 0.06 -0.62 -4.36 -0.84 -4.85 121.20 109.51 2q4i s ILE 188 Ca 0.27 -0.88 -0.30 0.00 -0.26 0.00 0.00 60.65 59.48 2q4i s ILE 188 Cb 0.07 -2.79 -0.05 0.00 1.25 0.00 0.00 42.46 40.94 2q4i s ILE 188 CO 0.06 0.00 1.06 -0.94 0.24 0.00 0.00 174.94 175.35 2q4i s SER 189 N -4.47 7.29 -1.43 4.36 1.04 -1.26 -2.76 113.70 116.48 2q4i s SER 189 Ca 0.58 1.84 -0.09 0.00 0.48 0.00 0.00 55.95 58.76 2q4i s SER 189 Cb -0.09 -2.58 0.06 0.00 0.10 0.00 0.00 66.02 63.51 2q4i s SER 189 CO 0.37 -0.28 0.66 0.59 0.98 0.00 0.00 173.24 175.56 2q4i n ASN 190 N 3.51 -4.73 -4.34 7.02 3.02 -1.26 -0.90 115.26 117.57 2q4i n ASN 190 Ca 0.06 -0.46 -0.34 0.00 -0.03 0.00 0.00 54.58 53.80 2q4i n ASN 190 Cb 0.49 -3.84 0.09 0.00 -0.61 0.00 0.00 39.78 35.91 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 -4.31 -2.09 -3.81 3.10 0.18 -1.11 -2.24 117.16 106.87 2q4i n TYR 191 Ca -0.03 0.21 -0.32 0.00 1.88 0.00 0.00 57.90 59.64 2q4i n TYR 191 Cb 0.56 -1.74 -0.05 0.00 -0.38 0.00 0.00 39.34 37.73 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 -2.20 5.32 0.00 -3.48 2.01 -1.05 -4.67 115.64 111.56 2q4i s THR 192 Ca 0.55 -0.10 0.00 0.00 0.31 0.00 0.00 61.69 62.46 2q4i s THR 192 Cb -0.24 -3.60 0.00 0.00 0.01 0.00 0.00 72.50 68.67 2q4i s THR 192 CO 0.68 0.21 0.13 -3.20 -0.69 0.00 0.00 174.62 171.75