#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ipk s ARG 4 N 0.00 2.82 -0.10 5.55 0.52 -1.26 -4.73 118.95 121.74 1ipk s ARG 4 Ca 0.00 -0.65 0.02 0.00 -0.52 0.00 0.00 55.73 54.59 1ipk s ARG 4 Cb 0.00 -2.53 0.01 0.00 0.52 0.00 0.00 34.95 32.95 1ipk s ARG 4 CO 0.00 -0.47 -0.17 -1.21 0.02 0.00 0.00 175.30 173.47 1ipk s GLU 5 N -4.64 2.40 0.00 3.54 2.02 -1.21 -5.00 118.70 115.81 1ipk s GLU 5 Ca 0.53 -0.64 0.00 0.00 0.02 0.00 0.00 54.97 54.88 1ipk s GLU 5 Cb -0.10 -1.96 0.00 0.00 0.10 0.00 0.00 34.13 32.17 1ipk s GLU 5 CO 0.38 0.01 0.00 -0.40 0.02 0.00 0.00 175.26 175.27 1ipk n ASP 6 N 3.98 2.57 0.00 -0.19 5.75 -1.26 -2.26 116.55 125.15 1ipk n ASP 6 Ca -0.20 -0.07 0.00 0.00 -0.01 0.00 0.00 54.79 54.52 1ipk n ASP 6 Cb 0.52 0.65 0.00 0.00 -1.03 0.00 0.00 41.12 41.25 1ipk n ASP 6 CO 0.00 0.00 0.00 1.21 -0.11 0.00 0.00 177.20 178.30 1ipk n GLU 7 N -0.91 3.04 -0.63 0.11 2.13 -1.26 -4.43 120.64 118.69 1ipk n GLU 7 Ca 0.00 0.00 0.08 0.00 0.66 0.00 0.00 57.16 57.90 1ipk n GLU 7 Cb 0.00 -0.65 0.34 0.00 0.27 0.00 0.00 31.44 31.40 1ipk n GLU 7 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 1ipk n ASN 8 N -0.90 4.74 -4.36 4.31 4.05 -1.26 -4.77 115.26 117.06 1ipk n ASN 8 Ca 0.00 -2.69 -0.46 0.00 0.45 0.00 0.00 54.58 51.88 1ipk n ASN 8 Cb 0.00 -0.58 -0.02 0.00 1.23 0.00 0.00 39.78 40.41 1ipk n ASN 8 CO 0.00 0.00 0.00 0.21 -3.05 0.00 0.00 177.26 174.42 1ipk s ASN 9 N -1.11 6.83 0.63 1.20 3.04 -1.26 -4.91 114.94 119.35 1ipk s ASN 9 Ca 0.48 -2.69 0.34 0.00 0.04 0.00 0.00 52.86 51.03 1ipk s ASN 9 Cb 0.34 -2.26 1.92 0.00 -1.54 0.00 0.00 41.25 39.71 1ipk s ASN 9 CO 0.18 -0.65 2.18 1.55 -3.04 0.00 0.00 177.10 177.31 1ipk h PRO 10 N 7.83 0.00 0.00 0.43 0.13 -1.95 -2.54 132.00 135.91 1ipk h PRO 10 Ca 0.14 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.22 1ipk h PRO 10 Cb 1.01 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.13 1ipk h PRO 10 CO 0.89 0.00 -0.25 0.74 -0.23 0.00 0.00 178.00 179.15 1ipk h PHE 11 N 0.00 0.00 -3.36 1.56 0.04 -1.92 -3.43 116.94 109.82 1ipk h PHE 11 Ca 0.03 0.00 -0.56 0.00 2.80 0.00 0.00 57.97 60.24 1ipk h PHE 11 Cb 0.30 0.00 -0.05 0.00 2.20 0.00 0.00 35.95 38.40 1ipk h PHE 11 CO 0.00 0.25 0.08 -0.47 -0.60 0.00 0.00 178.31 177.57 1ipk s TYR 12 N -3.85 3.57 -0.57 -0.55 6.14 -0.96 -1.02 117.35 120.11 1ipk s TYR 12 Ca -0.01 1.23 0.03 0.00 0.64 0.00 0.00 57.07 58.96 1ipk s TYR 12 Cb 0.12 -2.80 0.14 0.00 0.42 0.00 0.00 41.96 39.84 1ipk s TYR 12 CO 0.64 0.08 0.33 -0.06 0.64 0.00 0.00 175.55 177.19 1ipk s PHE 13 N 0.82 3.28 0.15 4.97 0.08 0.19 -4.99 117.98 122.48 1ipk s PHE 13 Ca 0.37 -3.11 -0.34 0.00 0.12 0.00 0.00 56.93 53.97 1ipk s PHE 13 Cb -0.18 -2.89 -0.15 0.00 -0.57 0.00 0.00 43.02 39.23 1ipk s PHE 13 CO 0.18 -0.74 1.33 -2.13 -0.10 0.00 0.00 175.22 173.75 1ipk n ARG 14 N 3.04 1.44 -0.03 0.44 0.63 -1.26 -2.50 116.66 118.43 1ipk n ARG 14 Ca 0.07 0.52 -0.12 0.00 -0.92 0.00 0.00 57.85 57.40 1ipk n ARG 14 Cb 0.33 -2.13 -0.07 0.00 0.45 0.00 0.00 32.46 31.04 1ipk n ARG 14 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 1ipk h SER 15 N 4.30 0.16 -1.26 6.15 4.64 -1.89 0.63 113.55 126.29 1ipk h SER 15 Ca -0.45 -0.31 0.40 0.00 -0.47 0.00 0.00 61.79 60.95 1ipk h SER 15 Cb 1.32 -0.04 -0.12 0.00 -0.31 0.00 0.00 62.40 63.24 1ipk h SER 15 CO 0.76 0.44 0.81 0.77 -0.87 0.00 0.00 176.83 178.74 1ipk h SER 16 N -0.12 0.28 0.00 4.97 4.64 -1.90 -3.29 113.55 118.13 1ipk h SER 16 Ca 0.03 0.12 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 1ipk h SER 16 Cb 0.35 0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.55 1ipk h SER 16 CO 0.01 -0.13 -0.40 -0.46 -0.87 0.00 0.00 176.83 174.98 1ipk n ASN 17 N -4.68 2.01 -1.22 4.97 0.23 -1.15 -4.78 115.26 110.64 1ipk n ASN 17 Ca 0.35 0.00 -0.04 0.00 -0.53 0.00 0.00 54.58 54.36 1ipk n ASN 17 Cb 1.31 0.36 0.03 0.00 -2.08 0.00 0.00 39.78 39.39 1ipk n ASN 17 CO 0.00 0.00 0.00 -1.20 -0.93 0.00 0.00 177.26 175.13 1ipk n SER 18 N -0.72 3.30 -3.97 0.53 7.64 0.22 -4.79 113.62 115.83 1ipk n SER 18 Ca 0.00 -2.28 -0.19 0.00 1.01 0.00 0.00 58.87 57.41 1ipk n SER 18 Cb 0.05 -0.59 -0.15 0.00 -1.01 0.00 0.00 64.21 62.50 1ipk n SER 18 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 1ipk s PHE 19 N -0.52 0.77 -0.11 1.43 0.40 -1.25 -2.24 117.98 116.46 1ipk s PHE 19 Ca 0.09 -0.18 0.03 0.00 -0.60 0.00 0.00 56.93 56.27 1ipk s PHE 19 Cb 0.08 -0.56 -0.00 0.00 0.51 0.00 0.00 43.02 43.04 1ipk s PHE 19 CO 0.02 -0.08 -0.21 -1.14 0.70 0.00 0.00 175.22 174.51 1ipk s GLN 20 N 0.20 3.14 0.03 0.44 0.74 0.23 -4.94 119.66 119.49 1ipk s GLN 20 Ca -0.03 -0.83 -0.30 0.00 0.05 0.00 0.00 55.36 54.26 1ipk s GLN 20 Cb -0.07 -2.40 -0.04 0.00 1.10 0.00 0.00 33.01 31.59 1ipk s GLN 20 CO 0.00 0.17 0.99 0.99 -0.55 0.00 0.00 175.29 176.89 1ipk s THR 21 N 0.40 4.73 -0.16 -0.34 2.01 -1.26 0.19 115.64 121.22 1ipk s THR 21 Ca -0.16 2.02 0.02 0.00 0.31 0.00 0.00 61.69 63.88 1ipk s THR 21 Cb -0.17 -4.29 -0.23 0.00 0.01 0.00 0.00 72.50 67.82 1ipk s THR 21 CO 0.07 0.19 0.22 0.18 -0.69 0.00 0.00 174.62 174.58 1ipk n LEU 22 N 3.69 2.07 -3.51 4.42 4.77 0.39 -4.87 117.00 123.96 1ipk n LEU 22 Ca 0.06 0.12 -0.17 0.00 -0.03 0.00 0.00 56.01 55.99 1ipk n LEU 22 Cb 0.50 -0.62 -0.06 0.00 -2.33 0.00 0.00 43.42 40.92 1ipk n LEU 22 CO 0.52 0.75 0.44 0.12 -1.33 0.00 0.00 177.39 177.89 1ipk s PHE 23 N -2.55 -0.64 -0.29 -1.77 2.19 -1.05 -5.00 117.98 108.87 1ipk s PHE 23 Ca -0.21 1.03 -0.16 0.00 0.33 0.00 0.00 56.93 57.92 1ipk s PHE 23 Cb 0.07 0.43 0.15 0.00 -1.31 0.00 0.00 43.02 42.36 1ipk s PHE 23 CO 0.74 -0.63 0.96 -2.00 1.83 0.00 0.00 175.22 176.12 1ipk s GLU 24 N -1.48 0.38 0.21 10.12 2.12 -1.26 -0.91 118.70 127.88 1ipk s GLU 24 Ca -0.09 0.70 -0.16 0.00 0.36 0.00 0.00 54.97 55.77 1ipk s GLU 24 Cb -0.00 0.13 0.02 0.00 0.26 0.00 0.00 34.13 34.54 1ipk s GLU 24 CO 0.07 -0.09 0.52 0.54 -0.54 0.00 0.00 175.26 175.76 1ipk s ASN 25 N 1.51 -0.20 0.12 -1.70 2.20 -0.76 -5.02 114.94 111.09 1ipk s ASN 25 Ca -0.08 -0.63 -0.03 0.00 -0.94 0.00 0.00 52.86 51.18 1ipk s ASN 25 Cb -0.04 0.59 0.21 0.00 -2.00 0.00 0.00 41.25 40.01 1ipk s ASN 25 CO -0.15 -1.10 0.65 0.00 -2.94 0.00 0.00 177.10 173.56 1ipk n GLN 26 N -0.35 -0.04 -0.09 3.55 3.00 -1.26 -0.85 117.38 121.34 1ipk n GLN 26 Ca -0.07 0.65 -0.12 0.00 -0.01 0.00 0.00 57.00 57.44 1ipk n GLN 26 Cb 0.62 -0.98 0.00 0.00 0.00 0.00 0.00 30.24 29.89 1ipk n GLN 26 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.06 176.15 1ipk h ASN 27 N 0.00 0.91 -3.10 1.08 4.21 -1.97 -3.45 115.58 113.26 1ipk h ASN 27 Ca 0.21 -0.43 -0.09 0.00 1.21 0.00 0.00 56.30 57.20 1ipk h ASN 27 Cb 0.33 -0.26 -0.01 0.00 -1.12 0.00 0.00 38.32 37.27 1ipk h ASN 27 CO -0.42 1.21 0.16 0.61 -1.29 0.00 0.00 177.43 177.69 1ipk n GLY 28 N 0.15 1.31 2.96 2.83 0.00 -0.03 0.18 105.19 112.59 1ipk n GLY 28 Ca -0.02 -1.33 -0.11 0.00 0.00 0.00 0.00 46.02 44.55 1ipk n GLY 28 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1ipk s ARG 29 N -2.25 0.17 -0.18 1.61 3.52 -0.67 -1.82 118.95 119.33 1ipk s ARG 29 Ca 0.18 -0.14 -0.04 0.00 -0.13 0.00 0.00 55.73 55.60 1ipk s ARG 29 Cb -0.04 0.07 0.06 0.00 -1.56 0.00 0.00 34.95 33.48 1ipk s ARG 29 CO 0.13 -0.03 0.06 0.42 -0.81 0.00 0.00 175.30 175.07 1ipk s ILE 30 N -0.49 0.27 -0.03 4.11 1.01 -0.09 -1.94 121.20 124.04 1ipk s ILE 30 Ca -0.06 -0.39 0.06 0.00 0.00 0.00 0.00 60.65 60.27 1ipk s ILE 30 Cb -0.04 -0.84 -0.02 0.00 0.01 0.00 0.00 42.46 41.57 1ipk s ILE 30 CO 0.00 -0.23 -0.21 -0.13 0.00 0.00 0.00 174.94 174.37 1ipk s ARG 31 N 1.97 2.29 -0.26 2.79 0.52 -0.66 0.15 118.95 125.75 1ipk s ARG 31 Ca 0.00 -0.84 -0.07 0.00 -0.52 0.00 0.00 55.73 54.30 1ipk s ARG 31 Cb -0.17 -2.18 -0.02 0.00 0.52 0.00 0.00 34.95 33.10 1ipk s ARG 31 CO -0.08 0.57 0.07 -1.17 0.02 0.00 0.00 175.30 174.71 1ipk s LEU 32 N -0.63 3.50 0.56 2.53 0.20 0.52 -0.48 118.68 124.88 1ipk s LEU 32 Ca 0.10 -0.28 -0.18 0.00 0.69 0.00 0.00 54.13 54.46 1ipk s LEU 32 Cb -0.10 -1.92 -0.05 0.00 -0.43 0.00 0.00 46.19 43.69 1ipk s LEU 32 CO -0.00 -0.06 1.07 -0.22 -0.29 0.00 0.00 176.35 176.85 1ipk s LEU 33 N 1.60 3.64 0.98 -0.68 2.96 0.26 -0.60 118.68 126.84 1ipk s LEU 33 Ca 0.06 1.95 -0.15 0.00 -0.22 0.00 0.00 54.13 55.77 1ipk s LEU 33 Cb -0.15 -4.55 -0.02 0.00 0.50 0.00 0.00 46.19 41.97 1ipk s LEU 33 CO 0.03 -1.12 -0.02 0.00 -1.32 0.00 0.00 176.35 173.93 1ipk n GLN 34 N -1.61 -0.30 -2.85 1.98 6.02 -0.95 -4.51 117.38 115.16 1ipk n GLN 34 Ca 0.10 -0.06 -0.41 0.00 -0.01 0.00 0.00 57.00 56.62 1ipk n GLN 34 Cb 0.52 -1.58 -0.05 0.00 1.02 0.00 0.00 30.24 30.15 1ipk n GLN 34 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1ipk s ARG 35 N -3.12 4.58 0.25 -1.09 0.52 -1.26 -4.75 118.95 114.07 1ipk s ARG 35 Ca 0.51 1.26 -0.05 0.00 -0.52 0.00 0.00 55.73 56.94 1ipk s ARG 35 Cb -0.19 -3.38 0.28 0.00 0.52 0.00 0.00 34.95 32.18 1ipk s ARG 35 CO 0.72 0.20 1.82 0.74 0.02 0.00 0.00 175.30 178.80 1ipk h PHE 36 N 5.82 1.06 0.00 -0.53 0.04 -1.85 -2.67 116.94 118.81 1ipk h PHE 36 Ca -0.43 -0.08 0.00 0.00 2.80 0.00 0.00 57.97 60.26 1ipk h PHE 36 Cb 1.21 -0.32 0.00 0.00 2.20 0.00 0.00 35.95 39.04 1ipk h PHE 36 CO 0.65 0.81 0.00 -2.95 -0.60 0.00 0.00 178.31 176.23 1ipk h ASN 37 N 1.02 0.00 -0.18 2.17 -0.00 -1.75 -3.02 115.58 113.82 1ipk h ASN 37 Ca 0.24 0.00 -0.15 0.00 -0.00 0.00 0.00 56.30 56.38 1ipk h ASN 37 Cb 0.21 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.53 1ipk h ASN 37 CO -0.02 0.00 -0.48 0.50 -0.00 0.00 0.00 177.43 177.43 1ipk h LYS 38 N 0.00 0.64 -0.21 4.14 3.11 -1.83 -3.16 116.57 119.26 1ipk h LYS 38 Ca 0.00 -0.45 -0.10 0.00 -2.81 0.00 0.00 60.65 57.29 1ipk h LYS 38 Cb 0.73 0.07 -0.01 0.00 -1.00 0.00 0.00 32.23 32.02 1ipk h LYS 38 CO 0.00 1.07 -0.30 -0.09 -2.81 0.00 0.00 179.45 177.32 1ipk h ARG 39 N 0.31 0.43 -1.50 1.90 2.43 -1.49 -3.45 114.38 113.01 1ipk h ARG 39 Ca -0.01 -0.17 0.12 0.00 -0.81 0.00 0.00 59.98 59.10 1ipk h ARG 39 Cb 1.09 -0.02 -0.26 0.00 -0.42 0.00 0.00 29.97 30.37 1ipk h ARG 39 CO 0.10 0.68 0.31 -1.54 -1.51 0.00 0.00 179.97 178.02 1ipk s SER 40 N -6.83 -0.58 0.58 -3.80 1.04 -1.15 -5.00 113.70 97.96 1ipk s SER 40 Ca -0.06 0.89 0.29 0.00 0.48 0.00 0.00 55.95 57.55 1ipk s SER 40 Cb 0.14 1.34 1.46 0.00 0.10 0.00 0.00 66.02 69.05 1ipk s SER 40 CO 0.79 -0.14 1.88 -0.65 0.98 0.00 0.00 173.24 176.10 1ipk h PRO 41 N 6.45 0.00 -0.86 4.02 0.11 -1.86 -2.39 132.00 137.47 1ipk h PRO 41 Ca -0.26 0.00 0.32 0.00 0.11 0.00 0.00 66.00 66.17 1ipk h PRO 41 Cb 1.18 0.00 -0.16 0.00 0.11 0.00 0.00 31.00 32.13 1ipk h PRO 41 CO 0.17 0.00 0.31 1.04 -0.21 0.00 0.00 178.00 179.31 1ipk n GLN 42 N -3.85 -0.06 -3.26 1.05 1.13 -1.26 -2.20 117.38 108.93 1ipk n GLN 42 Ca 0.11 1.23 -0.30 0.00 -1.94 0.00 0.00 57.00 56.10 1ipk n GLN 42 Cb 0.76 -2.11 -0.06 0.00 0.11 0.00 0.00 30.24 28.94 1ipk n GLN 42 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 1ipk n LEU 43 N -5.05 4.43 -0.24 1.08 4.77 -0.90 -4.81 117.00 116.28 1ipk n LEU 43 Ca 0.28 -5.44 0.13 0.00 -0.03 0.00 0.00 56.01 50.95 1ipk n LEU 43 Cb 0.96 -0.77 0.47 0.00 -2.33 0.00 0.00 43.42 41.75 1ipk n LEU 43 CO -0.02 2.04 0.75 1.21 -1.33 0.00 0.00 177.39 180.05 1ipk n GLU 44 N 0.73 0.92 -0.13 3.23 2.13 -0.93 -3.42 120.64 123.16 1ipk n GLU 44 Ca 0.30 -0.48 0.08 0.00 0.66 0.00 0.00 57.16 57.72 1ipk n GLU 44 Cb 0.39 -1.49 0.26 0.00 0.27 0.00 0.00 31.44 30.87 1ipk n GLU 44 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1ipk n ASN 45 N -0.62 1.78 -0.00 4.31 4.13 -1.26 -3.38 115.26 120.21 1ipk n ASN 45 Ca 0.14 -1.86 0.00 0.00 1.68 0.00 0.00 54.58 54.54 1ipk n ASN 45 Cb 0.33 -0.17 0.00 0.00 -1.54 0.00 0.00 39.78 38.39 1ipk n ASN 45 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1ipk n LEU 46 N 0.43 1.79 -0.12 3.41 4.77 -1.22 -4.70 117.00 121.36 1ipk n LEU 46 Ca 0.14 -1.79 0.11 0.00 -0.03 0.00 0.00 56.01 54.44 1ipk n LEU 46 Cb 0.31 -0.00 0.46 0.00 -2.33 0.00 0.00 43.42 41.86 1ipk n LEU 46 CO 0.10 0.45 1.20 0.08 -1.33 0.00 0.00 177.39 177.89 1ipk h ARG 47 N 0.01 0.48 0.00 3.23 0.11 -1.72 -0.42 114.38 116.06 1ipk h ARG 47 Ca 0.00 -0.03 0.00 0.00 0.10 0.00 0.00 59.98 60.05 1ipk h ARG 47 Cb 0.40 -0.11 0.00 0.00 1.11 0.00 0.00 29.97 31.37 1ipk h ARG 47 CO 0.00 0.32 0.00 -0.25 0.10 0.00 0.00 179.97 180.14 1ipk n ASP 48 N -4.48 0.00 -4.42 0.08 8.00 -1.26 -2.44 116.55 112.03 1ipk n ASP 48 Ca 0.11 -0.24 -0.22 0.00 0.71 0.00 0.00 54.79 55.15 1ipk n ASP 48 Cb 0.36 -0.07 -0.10 0.00 -0.02 0.00 0.00 41.12 41.29 1ipk n ASP 48 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1ipk s TYR 49 N -2.13 2.05 -0.01 1.24 2.02 -0.17 -4.07 117.35 116.28 1ipk s TYR 49 Ca 0.15 -0.43 -0.15 0.00 -0.37 0.00 0.00 57.07 56.28 1ipk s TYR 49 Cb 0.08 -0.91 0.02 0.00 -0.40 0.00 0.00 41.96 40.74 1ipk s TYR 49 CO 0.14 0.57 0.31 1.03 -1.57 0.00 0.00 175.55 176.02 1ipk s ARG 50 N -3.54 0.68 -0.10 -0.62 1.81 -1.07 -4.62 118.95 111.50 1ipk s ARG 50 Ca 0.27 -0.23 0.02 0.00 -1.72 0.00 0.00 55.73 54.06 1ipk s ARG 50 Cb -0.03 0.30 -0.01 0.00 -0.45 0.00 0.00 34.95 34.75 1ipk s ARG 50 CO 0.12 -0.19 -0.16 0.42 -0.68 0.00 0.00 175.30 174.80 1ipk s ILE 51 N -1.46 2.82 -0.02 1.52 1.01 -1.26 -0.91 121.20 122.89 1ipk s ILE 51 Ca -0.13 -0.76 0.07 0.00 0.00 0.00 0.00 60.65 59.82 1ipk s ILE 51 Cb -0.05 -2.14 -0.02 0.00 0.01 0.00 0.00 42.46 40.27 1ipk s ILE 51 CO 0.03 0.55 -0.22 -0.69 0.00 0.00 0.00 174.94 174.61 1ipk s VAL 52 N 0.06 1.72 -0.00 2.92 1.01 0.34 -0.58 120.40 125.88 1ipk s VAL 52 Ca -0.06 -0.93 0.05 0.00 0.00 0.00 0.00 61.98 61.04 1ipk s VAL 52 Cb -0.15 -1.44 -0.03 0.00 0.00 0.00 0.00 36.38 34.77 1ipk s VAL 52 CO 0.05 0.49 -0.16 -1.10 0.00 0.00 0.00 175.10 174.38 1ipk s GLN 53 N -0.45 2.31 -0.04 2.72 -0.21 0.37 -0.25 119.66 124.10 1ipk s GLN 53 Ca 0.07 -0.83 -0.02 0.00 0.02 0.00 0.00 55.36 54.60 1ipk s GLN 53 Cb -0.09 -2.29 0.03 0.00 1.00 0.00 0.00 33.01 31.66 1ipk s GLN 53 CO -0.00 0.58 0.10 0.12 -2.12 0.00 0.00 175.29 173.97 1ipk s PHE 54 N -0.84 -0.09 0.01 0.91 5.36 0.22 -1.65 117.98 121.90 1ipk s PHE 54 Ca 0.13 0.32 0.02 0.00 -0.96 0.00 0.00 56.93 56.44 1ipk s PHE 54 Cb -0.11 -0.09 -0.01 0.00 -0.34 0.00 0.00 43.02 42.47 1ipk s PHE 54 CO 0.03 -0.11 -0.06 -0.65 -1.46 0.00 0.00 175.22 172.97 1ipk s GLN 55 N 0.82 0.42 0.01 10.12 -0.21 -0.82 0.98 119.66 130.98 1ipk s GLN 55 Ca -0.06 -0.40 0.00 0.00 0.02 0.00 0.00 55.36 54.92 1ipk s GLN 55 Cb -0.09 -0.31 -0.01 0.00 1.00 0.00 0.00 33.01 33.61 1ipk s GLN 55 CO -0.03 0.07 -0.01 -1.54 -2.12 0.00 0.00 175.29 171.66 1ipk s SER 56 N -0.70 0.11 0.95 5.90 1.04 -0.63 -1.67 113.70 118.70 1ipk s SER 56 Ca -0.03 -0.17 -0.12 0.00 0.48 0.00 0.00 55.95 56.11 1ipk s SER 56 Cb -0.05 0.03 0.16 0.00 0.10 0.00 0.00 66.02 66.26 1ipk s SER 56 CO -0.00 -0.09 1.09 -0.54 0.98 0.00 0.00 173.24 174.68 1ipk s LYS 57 N -0.48 0.81 0.45 4.02 1.02 0.48 -2.26 119.74 123.78 1ipk s LYS 57 Ca -0.05 0.87 -0.25 0.00 0.02 0.00 0.00 55.97 56.56 1ipk s LYS 57 Cb -0.03 -1.75 -0.08 0.00 -0.52 0.00 0.00 37.83 35.45 1ipk s LYS 57 CO -0.00 -2.57 1.34 -1.25 -0.92 0.00 0.00 175.35 171.95 1ipk s PRO 58 N -4.83 3.72 -1.13 -1.68 0.04 -1.26 -3.42 135.00 126.44 1ipk s PRO 58 Ca 0.65 2.22 -0.00 0.00 0.04 0.00 0.00 61.00 63.91 1ipk s PRO 58 Cb -0.20 -2.61 -0.00 0.00 0.04 0.00 0.00 34.50 31.73 1ipk s PRO 58 CO 0.58 -0.72 0.94 0.09 0.04 0.00 0.00 177.00 177.93 1ipk n ASN 59 N -0.22 -2.09 -4.46 6.66 4.13 -0.46 -4.93 115.26 113.88 1ipk n ASN 59 Ca 0.06 -0.59 -0.22 0.00 1.68 0.00 0.00 54.58 55.51 1ipk n ASN 59 Cb 0.44 -4.86 -0.11 0.00 -1.54 0.00 0.00 39.78 33.71 1ipk n ASN 59 CO 0.00 0.00 0.00 0.42 0.28 0.00 0.00 177.26 177.96 1ipk s THR 60 N -3.34 1.52 -0.05 3.41 -4.23 -1.17 -2.25 115.64 109.53 1ipk s THR 60 Ca 0.01 -2.06 -0.03 0.00 -1.18 0.00 0.00 61.69 58.43 1ipk s THR 60 Cb -0.00 -2.66 0.03 0.00 1.34 0.00 0.00 72.50 71.20 1ipk s THR 60 CO 0.69 -0.14 0.11 -0.51 -0.54 0.00 0.00 174.62 174.23 1ipk s ILE 61 N -3.08 -0.03 -0.17 2.99 2.07 -0.10 -0.62 121.20 122.27 1ipk s ILE 61 Ca 0.33 0.11 -0.25 0.00 -1.41 0.00 0.00 60.65 59.43 1ipk s ILE 61 Cb 0.07 -0.18 -0.02 0.00 0.13 0.00 0.00 42.46 42.45 1ipk s ILE 61 CO 0.14 0.04 0.80 -0.22 -1.91 0.00 0.00 174.94 173.79 1ipk s LEU 62 N 0.68 4.18 0.72 8.50 0.20 0.93 -1.65 118.68 132.24 1ipk s LEU 62 Ca -0.05 1.13 -0.13 0.00 0.69 0.00 0.00 54.13 55.77 1ipk s LEU 62 Cb -0.07 -3.18 0.03 0.00 -0.43 0.00 0.00 46.19 42.54 1ipk s LEU 62 CO -0.03 -0.37 1.10 -0.76 -0.29 0.00 0.00 176.35 176.01 1ipk s LEU 63 N 2.04 3.20 -0.04 -0.68 1.43 0.16 -3.00 118.68 121.80 1ipk s LEU 63 Ca 0.37 1.92 -0.39 0.00 -1.03 0.00 0.00 54.13 55.00 1ipk s LEU 63 Cb -0.17 -4.54 -0.17 0.00 0.03 0.00 0.00 46.19 41.34 1ipk s LEU 63 CO 0.12 -1.86 1.37 -2.65 0.23 0.00 0.00 176.35 173.57 1ipk n PRO 64 N -2.99 0.83 -3.53 1.29 -0.02 -1.26 -4.74 135.00 124.57 1ipk n PRO 64 Ca 0.10 0.30 -0.10 0.00 -2.02 0.00 0.00 63.50 61.77 1ipk n PRO 64 Cb 0.52 -1.91 -0.04 0.00 -0.02 0.00 0.00 33.50 32.06 1ipk n PRO 64 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 1ipk s HIS 65 N 1.09 -0.40 0.02 6.00 -3.43 -1.12 -2.10 115.29 115.35 1ipk s HIS 65 Ca 0.90 0.47 0.07 0.00 -0.80 0.00 0.00 55.06 55.69 1ipk s HIS 65 Cb -1.08 0.49 -0.02 0.00 -1.43 0.00 0.00 32.58 30.54 1ipk s HIS 65 CO 0.55 -0.50 -0.20 -3.38 -2.00 0.00 0.00 174.74 169.21 1ipk s HIS 66 N -2.24 1.73 0.15 0.38 -3.43 -0.16 -1.82 115.29 109.90 1ipk s HIS 66 Ca 0.01 -0.35 0.09 0.00 -0.80 0.00 0.00 55.06 54.00 1ipk s HIS 66 Cb -0.01 -1.06 -0.04 0.00 -1.43 0.00 0.00 32.58 30.04 1ipk s HIS 66 CO -0.03 0.04 -0.15 0.00 -2.00 0.00 0.00 174.74 172.60 1ipk s ALA 67 N -0.67 2.80 0.00 -1.38 0.00 -1.26 -0.34 121.76 120.90 1ipk s ALA 67 Ca 0.07 -1.41 0.00 0.00 0.00 0.00 0.00 51.96 50.61 1ipk s ALA 67 Cb -0.08 -0.68 0.00 0.00 0.00 0.00 0.00 23.12 22.36 1ipk s ALA 67 CO 0.01 0.54 0.80 -3.47 0.00 0.00 0.00 175.76 173.64 1ipk n ASP 68 N 0.45 2.27 -3.59 0.00 4.64 -0.82 -1.90 116.55 117.61 1ipk n ASP 68 Ca -0.13 -1.42 -0.07 0.00 -1.38 0.00 0.00 54.79 51.80 1ipk n ASP 68 Cb 0.54 -0.43 -0.04 0.00 -1.04 0.00 0.00 41.12 40.15 1ipk n ASP 68 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1ipk s ALA 69 N 0.56 -2.00 0.77 -1.67 0.00 -1.26 -2.88 121.76 115.28 1ipk s ALA 69 Ca 0.00 1.60 -0.11 0.00 0.00 0.00 0.00 51.96 53.45 1ipk s ALA 69 Cb 0.00 -0.63 0.06 0.00 0.00 0.00 0.00 23.12 22.55 1ipk s ALA 69 CO 0.00 -0.41 1.11 -0.51 0.00 0.00 0.00 175.76 175.95 1ipk s ASP 70 N -1.52 4.33 0.03 0.00 1.01 -1.13 -4.06 116.67 115.33 1ipk s ASP 70 Ca 0.04 1.94 -0.11 0.00 0.71 0.00 0.00 52.55 55.14 1ipk s ASP 70 Cb -0.01 -2.54 0.01 0.00 1.01 0.00 0.00 42.92 41.40 1ipk s ASP 70 CO -0.04 -2.16 0.24 -0.36 0.21 0.00 0.00 175.17 173.06 1ipk s PHE 71 N -2.71 -0.03 -0.37 4.23 2.99 -0.57 -2.03 117.98 119.48 1ipk s PHE 71 Ca 0.64 -0.09 0.02 0.00 0.00 0.00 0.00 56.93 57.49 1ipk s PHE 71 Cb -0.19 0.02 0.15 0.00 0.00 0.00 0.00 43.02 43.00 1ipk s PHE 71 CO 0.53 -0.42 0.26 -1.17 -0.00 0.00 0.00 175.22 174.42 1ipk s LEU 72 N -1.85 1.08 0.37 -0.37 2.96 -1.09 -1.75 118.68 118.04 1ipk s LEU 72 Ca -0.08 -2.49 -0.23 0.00 -0.22 0.00 0.00 54.13 51.11 1ipk s LEU 72 Cb -0.03 -0.37 -0.10 0.00 0.50 0.00 0.00 46.19 46.19 1ipk s LEU 72 CO -0.01 -0.26 0.93 -1.48 -1.32 0.00 0.00 176.35 174.21 1ipk s LEU 73 N 0.72 4.13 -0.35 -0.68 0.05 -0.99 -3.23 118.68 118.32 1ipk s LEU 73 Ca 0.23 1.73 0.00 0.00 0.05 0.00 0.00 54.13 56.15 1ipk s LEU 73 Cb -0.13 -4.26 0.11 0.00 -2.05 0.00 0.00 46.19 39.86 1ipk s LEU 73 CO -0.07 -0.21 0.15 0.12 -0.55 0.00 0.00 176.35 175.79 1ipk s PHE 74 N -1.90 1.77 -0.23 3.48 2.19 -0.35 -2.61 117.98 120.33 1ipk s PHE 74 Ca 0.56 -1.96 -0.28 0.00 0.33 0.00 0.00 56.93 55.57 1ipk s PHE 74 Cb -0.14 -1.74 -0.04 0.00 -1.31 0.00 0.00 43.02 39.79 1ipk s PHE 74 CO 0.18 -0.85 2.09 0.08 1.83 0.00 0.00 175.22 178.55 1ipk s VAL 75 N 1.19 3.14 -0.12 3.12 1.01 -0.90 -2.89 120.40 124.95 1ipk s VAL 75 Ca 0.13 0.15 -0.13 0.00 0.00 0.00 0.00 61.98 62.12 1ipk s VAL 75 Cb -0.20 -3.18 -0.11 0.00 0.00 0.00 0.00 36.38 32.89 1ipk s VAL 75 CO -0.15 -0.11 0.30 -0.07 0.00 0.00 0.00 175.10 175.07 1ipk h LEU 76 N 14.36 0.00 -8.01 3.92 3.38 -1.54 -0.74 115.31 126.68 1ipk h LEU 76 Ca -0.40 -0.42 -0.30 0.00 0.09 0.00 0.00 57.88 56.86 1ipk h LEU 76 Cb 1.22 0.00 -0.25 0.00 0.09 0.00 0.00 40.66 41.72 1ipk h LEU 76 CO 0.98 0.76 -0.74 -0.94 0.09 0.00 0.00 178.44 178.58 1ipk s SER 77 N -5.89 0.69 0.00 -0.43 1.04 -1.23 -4.45 113.70 103.44 1ipk s SER 77 Ca -0.10 -0.29 0.00 0.00 0.48 0.00 0.00 55.95 56.04 1ipk s SER 77 Cb -0.01 -0.02 0.00 0.00 0.10 0.00 0.00 66.02 66.09 1ipk s SER 77 CO 0.31 -0.06 0.00 0.61 0.98 0.00 0.00 173.24 175.09 1ipk n GLY 78 N 2.30 -0.93 3.68 7.32 0.00 -1.25 -1.61 105.19 114.70 1ipk n GLY 78 Ca -0.17 -1.66 -0.26 0.00 0.00 0.00 0.00 46.02 43.93 1ipk n GLY 78 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1ipk s ARG 79 N -1.84 2.10 0.26 1.61 1.70 -1.26 -3.97 118.95 117.54 1ipk s ARG 79 Ca 0.00 -1.94 -0.21 0.00 -0.47 0.00 0.00 55.73 53.11 1ipk s ARG 79 Cb 0.00 -1.84 0.03 0.00 -0.57 0.00 0.00 34.95 32.57 1ipk s ARG 79 CO 0.00 -0.06 0.70 0.00 -1.08 0.00 0.00 175.30 174.86 1ipk s ALA 80 N -2.63 -1.28 -0.14 7.88 0.00 -1.12 -4.39 121.76 120.09 1ipk s ALA 80 Ca 0.38 -0.17 0.01 0.00 0.00 0.00 0.00 51.96 52.17 1ipk s ALA 80 Cb 0.06 0.86 0.02 0.00 0.00 0.00 0.00 23.12 24.06 1ipk s ALA 80 CO 0.20 -0.99 -0.15 0.42 0.00 0.00 0.00 175.76 175.25 1ipk s ILE 81 N -3.89 1.57 -0.26 0.00 1.01 -0.22 -2.01 121.20 117.39 1ipk s ILE 81 Ca 0.09 -0.65 -0.04 0.00 0.00 0.00 0.00 60.65 60.06 1ipk s ILE 81 Cb -0.05 -1.46 0.02 0.00 0.01 0.00 0.00 42.46 40.97 1ipk s ILE 81 CO 0.03 0.46 -0.01 -0.22 0.00 0.00 0.00 174.94 175.21 1ipk s LEU 82 N 1.34 3.42 -0.33 2.97 2.96 0.12 -1.09 118.68 128.08 1ipk s LEU 82 Ca 0.02 -0.78 -0.08 0.00 -0.22 0.00 0.00 54.13 53.07 1ipk s LEU 82 Cb -0.13 -1.75 0.02 0.00 0.50 0.00 0.00 46.19 44.82 1ipk s LEU 82 CO -0.08 -0.14 0.13 -0.89 -1.32 0.00 0.00 176.35 174.04 1ipk s THR 83 N 1.40 4.15 -0.17 3.68 2.01 -1.13 0.28 115.64 125.87 1ipk s THR 83 Ca 0.01 -0.81 -0.18 0.00 0.31 0.00 0.00 61.69 61.02 1ipk s THR 83 Cb -0.17 -3.23 -0.04 0.00 0.01 0.00 0.00 72.50 69.07 1ipk s THR 83 CO -0.02 -0.06 0.50 -0.76 -0.69 0.00 0.00 174.62 173.59 1ipk s LEU 84 N 1.50 4.20 -0.19 4.42 1.43 0.90 -2.67 118.68 128.28 1ipk s LEU 84 Ca 0.02 0.73 -0.04 0.00 -1.03 0.00 0.00 54.13 53.81 1ipk s LEU 84 Cb -0.18 -2.70 -0.02 0.00 0.03 0.00 0.00 46.19 43.32 1ipk s LEU 84 CO 0.04 -0.10 -0.04 0.68 0.23 0.00 0.00 176.35 177.16 1ipk s VAL 85 N 1.21 3.61 0.44 -1.59 -7.23 0.73 0.01 120.40 117.58 1ipk s VAL 85 Ca 0.25 -0.43 0.06 0.00 -1.81 0.00 0.00 61.98 60.04 1ipk s VAL 85 Cb -0.15 -2.61 0.06 0.00 0.56 0.00 0.00 36.38 34.24 1ipk s VAL 85 CO 0.10 0.45 0.51 0.59 -0.31 0.00 0.00 175.10 176.44 1ipk n ASN 86 N 4.20 1.91 0.15 4.85 3.02 -0.05 -3.74 115.26 125.59 1ipk n ASN 86 Ca -0.18 -2.29 0.01 0.00 -0.03 0.00 0.00 54.58 52.09 1ipk n ASN 86 Cb 0.52 -0.22 0.18 0.00 -0.61 0.00 0.00 39.78 39.65 1ipk n ASN 86 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1ipk h ASN 87 N 0.24 0.00 0.00 6.41 7.08 -2.00 -3.32 115.58 123.99 1ipk h ASN 87 Ca -0.23 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 52.99 1ipk h ASN 87 Cb 0.97 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.21 1ipk h ASN 87 CO 0.35 0.57 -0.12 -0.90 -2.08 0.00 0.00 177.43 175.25 1ipk n ASP 88 N -3.63 1.75 -1.90 6.14 3.85 -1.26 -5.08 116.55 116.42 1ipk n ASP 88 Ca -0.01 -2.78 -0.00 0.00 -0.71 0.00 0.00 54.79 51.30 1ipk n ASP 88 Cb 0.62 -0.36 0.01 0.00 -1.35 0.00 0.00 41.12 40.04 1ipk n ASP 88 CO 0.00 0.00 0.00 -0.67 -1.01 0.00 0.00 177.20 175.52 1ipk n ASP 89 N -1.05 -0.53 -3.61 -1.12 2.03 -1.25 -5.18 116.55 105.84 1ipk n ASP 89 Ca 0.12 -1.21 -0.10 0.00 0.52 0.00 0.00 54.79 54.11 1ipk n ASP 89 Cb 0.64 0.84 -0.06 0.00 -0.72 0.00 0.00 41.12 41.82 1ipk n ASP 89 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1ipk s ARG 90 N -2.01 0.53 -0.09 -0.67 1.70 -1.26 -0.87 118.95 116.28 1ipk s ARG 90 Ca 0.09 0.41 0.02 0.00 -0.47 0.00 0.00 55.73 55.78 1ipk s ARG 90 Cb -0.01 0.26 0.01 0.00 -0.57 0.00 0.00 34.95 34.64 1ipk s ARG 90 CO 0.01 -0.11 -0.15 -0.51 -1.08 0.00 0.00 175.30 173.46 1ipk s ASP 91 N -0.31 2.23 -0.27 -2.89 1.01 0.10 -4.94 116.67 111.60 1ipk s ASP 91 Ca 0.01 -0.39 -0.10 0.00 0.71 0.00 0.00 52.55 52.78 1ipk s ASP 91 Cb -0.03 -1.02 -0.05 0.00 1.01 0.00 0.00 42.92 42.84 1ipk s ASP 91 CO -0.03 0.05 0.17 -0.44 0.21 0.00 0.00 175.17 175.12 1ipk s SER 92 N 0.74 5.85 -0.01 0.27 0.01 -1.26 -0.07 113.70 119.23 1ipk s SER 92 Ca -0.12 -0.05 0.03 0.00 1.31 0.00 0.00 55.95 57.13 1ipk s SER 92 Cb -0.16 -2.08 -0.03 0.00 0.21 0.00 0.00 66.02 63.96 1ipk s SER 92 CO 0.03 -0.05 -0.09 -0.31 0.41 0.00 0.00 173.24 173.23 1ipk s TYR 93 N 1.72 2.82 -0.31 2.43 2.02 0.14 -1.59 117.35 124.58 1ipk s TYR 93 Ca 0.07 -0.08 -0.05 0.00 -0.37 0.00 0.00 57.07 56.64 1ipk s TYR 93 Cb -0.16 -1.61 0.03 0.00 -0.40 0.00 0.00 41.96 39.82 1ipk s TYR 93 CO 0.10 0.32 0.06 1.21 -1.57 0.00 0.00 175.55 175.67 1ipk s ASN 94 N -1.20 5.09 0.03 2.29 3.04 0.23 -0.70 114.94 123.72 1ipk s ASN 94 Ca 0.15 -1.00 0.04 0.00 0.04 0.00 0.00 52.86 52.09 1ipk s ASN 94 Cb -0.11 -1.83 -0.04 0.00 -1.54 0.00 0.00 41.25 37.74 1ipk s ASN 94 CO 0.05 -0.26 -0.06 -0.76 -3.04 0.00 0.00 177.10 173.03 1ipk s LEU 95 N 1.40 3.20 0.33 3.21 1.43 -0.85 -4.17 118.68 123.23 1ipk s LEU 95 Ca -0.01 -0.18 0.03 0.00 -1.03 0.00 0.00 54.13 52.95 1ipk s LEU 95 Cb -0.19 -1.88 -0.06 0.00 0.03 0.00 0.00 46.19 44.10 1ipk s LEU 95 CO 0.01 0.25 0.07 -1.00 0.23 0.00 0.00 176.35 175.92 1ipk s HIS 96 N -1.07 1.86 -0.04 0.29 3.76 -1.26 -2.79 115.29 116.04 1ipk s HIS 96 Ca 0.19 -1.04 -0.38 0.00 -0.15 0.00 0.00 55.06 53.68 1ipk s HIS 96 Cb -0.11 -1.20 -0.16 0.00 1.11 0.00 0.00 32.58 32.22 1ipk s HIS 96 CO 0.10 -0.10 1.49 -2.30 -0.85 0.00 0.00 174.74 173.09 1ipk n PRO 97 N -0.68 1.19 0.00 8.40 -0.02 -1.25 -1.18 135.00 141.46 1ipk n PRO 97 Ca -0.02 0.43 0.00 0.00 -2.02 0.00 0.00 63.50 61.89 1ipk n PRO 97 Cb 0.66 -2.10 0.00 0.00 -0.02 0.00 0.00 33.50 32.05 1ipk n PRO 97 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ipk n GLY 98 N 3.15 2.99 3.78 -1.23 0.00 -0.28 -4.92 105.19 108.68 1ipk n GLY 98 Ca 0.21 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.89 1ipk n GLY 98 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ipk s ASP 99 N -1.32 5.58 -0.15 1.61 1.01 -0.32 -0.96 116.67 122.11 1ipk s ASP 99 Ca 0.00 2.03 -0.09 0.00 0.71 0.00 0.00 52.55 55.20 1ipk s ASP 99 Cb 0.00 -2.56 0.05 0.00 1.01 0.00 0.00 42.92 41.42 1ipk s ASP 99 CO 0.00 -1.31 0.36 0.00 0.21 0.00 0.00 175.17 174.43 1ipk s ALA 100 N -2.10 -0.91 0.06 5.23 0.00 -0.92 -2.11 121.76 121.01 1ipk s ALA 100 Ca 0.69 1.32 0.01 0.00 0.00 0.00 0.00 51.96 53.98 1ipk s ALA 100 Cb -0.21 -0.80 -0.03 0.00 0.00 0.00 0.00 23.12 22.08 1ipk s ALA 100 CO 0.33 -0.23 -0.06 -1.14 0.00 0.00 0.00 175.76 174.66 1ipk s GLN 101 N 1.16 0.63 -0.22 0.00 0.74 -1.07 -2.12 119.66 118.77 1ipk s GLN 101 Ca -0.08 -1.03 -0.06 0.00 0.05 0.00 0.00 55.36 54.24 1ipk s GLN 101 Cb -0.08 -0.12 -0.02 0.00 1.10 0.00 0.00 33.01 33.89 1ipk s GLN 101 CO -0.10 -0.02 0.02 0.50 -0.55 0.00 0.00 175.29 175.15 1ipk s ARG 102 N -2.81 3.59 -0.47 1.67 3.52 -1.26 -2.36 118.95 120.83 1ipk s ARG 102 Ca 0.00 -0.52 -0.11 0.00 -0.13 0.00 0.00 55.73 54.98 1ipk s ARG 102 Cb -0.01 -3.16 0.11 0.00 -1.56 0.00 0.00 34.95 30.33 1ipk s ARG 102 CO -0.04 -0.09 0.36 0.42 -0.81 0.00 0.00 175.30 175.14 1ipk s ILE 103 N 1.29 4.44 0.86 4.11 1.01 -0.72 -4.99 121.20 127.21 1ipk s ILE 103 Ca 0.04 -1.64 -0.11 0.00 0.00 0.00 0.00 60.65 58.94 1ipk s ILE 103 Cb -0.15 -3.86 0.12 0.00 0.01 0.00 0.00 42.46 38.58 1ipk s ILE 103 CO 0.01 -0.74 1.16 -2.84 0.00 0.00 0.00 174.94 172.54 1ipk s PRO 104 N 1.43 1.34 1.10 2.79 0.02 -1.26 -1.51 135.00 138.91 1ipk s PRO 104 Ca 0.05 1.59 -0.20 0.00 0.02 0.00 0.00 61.00 62.45 1ipk s PRO 104 Cb -0.26 -1.76 0.06 0.00 0.02 0.00 0.00 34.50 32.56 1ipk s PRO 104 CO 0.01 -2.40 -0.24 0.00 -0.33 0.00 0.00 177.00 174.04 1ipk n ALA 105 N -3.85 -4.36 -1.70 -1.55 0.00 -1.26 -3.09 120.51 104.71 1ipk n ALA 105 Ca 0.12 -1.32 0.00 0.00 0.00 0.00 0.00 53.44 52.24 1ipk n ALA 105 Cb 0.52 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.59 1ipk n ALA 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ipk n GLY 106 N 2.28 -0.24 3.56 0.00 0.00 -0.80 -4.89 105.19 105.11 1ipk n GLY 106 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 1ipk n GLY 106 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ipk s THR 107 N -1.46 4.95 0.24 2.61 2.01 -1.18 -4.92 115.64 117.89 1ipk s THR 107 Ca 0.00 0.04 -0.30 0.00 0.31 0.00 0.00 61.69 61.74 1ipk s THR 107 Cb 0.00 -3.32 -0.09 0.00 0.01 0.00 0.00 72.50 69.10 1ipk s THR 107 CO 0.00 0.31 1.01 -0.89 -0.69 0.00 0.00 174.62 174.36 1ipk s THR 108 N 1.48 3.88 0.08 -0.82 2.01 -1.24 -4.35 115.64 116.67 1ipk s THR 108 Ca 0.06 1.85 -0.26 0.00 0.31 0.00 0.00 61.69 63.66 1ipk s THR 108 Cb -0.15 -4.18 0.08 0.00 0.01 0.00 0.00 72.50 68.26 1ipk s THR 108 CO 0.07 0.43 0.69 -0.72 -0.69 0.00 0.00 174.62 174.40 1ipk s TYR 109 N -1.04 -0.51 -0.02 4.92 1.13 -0.76 -0.19 117.35 120.89 1ipk s TYR 109 Ca 0.43 0.45 0.01 0.00 -1.41 0.00 0.00 57.07 56.55 1ipk s TYR 109 Cb -0.28 0.53 0.01 0.00 -1.10 0.00 0.00 41.96 41.11 1ipk s TYR 109 CO 0.35 -0.72 -0.03 1.52 -2.51 0.00 0.00 175.55 174.16 1ipk s TYR 110 N -3.08 0.42 -0.04 -3.49 1.13 -1.09 -2.78 117.35 108.43 1ipk s TYR 110 Ca -0.00 -0.07 -0.03 0.00 -1.41 0.00 0.00 57.07 55.55 1ipk s TYR 110 Cb -0.01 -0.34 -0.04 0.00 -1.10 0.00 0.00 41.96 40.47 1ipk s TYR 110 CO -0.08 -0.06 0.15 -1.17 -2.51 0.00 0.00 175.55 171.89 1ipk s LEU 111 N 0.31 4.30 0.05 -3.49 2.96 -1.16 -2.83 118.68 118.81 1ipk s LEU 111 Ca -0.03 0.35 0.05 0.00 -0.22 0.00 0.00 54.13 54.28 1ipk s LEU 111 Cb -0.06 -2.42 -0.02 0.00 0.50 0.00 0.00 46.19 44.18 1ipk s LEU 111 CO -0.00 0.30 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.49 1ipk s VAL 112 N -1.23 1.15 -0.39 1.68 1.01 -0.25 -0.05 120.40 122.32 1ipk s VAL 112 Ca 0.23 -1.10 -0.02 0.00 0.00 0.00 0.00 61.98 61.10 1ipk s VAL 112 Cb -0.12 -1.05 0.11 0.00 0.00 0.00 0.00 36.38 35.31 1ipk s VAL 112 CO 0.14 -0.05 0.17 0.21 0.00 0.00 0.00 175.10 175.57 1ipk s ASN 113 N -1.32 5.16 0.27 3.32 3.04 0.21 -1.06 114.94 124.56 1ipk s ASN 113 Ca 0.01 -2.02 0.14 0.00 0.04 0.00 0.00 52.86 51.03 1ipk s ASN 113 Cb -0.08 -1.79 0.20 0.00 -1.54 0.00 0.00 41.25 38.04 1ipk s ASN 113 CO 0.02 -0.50 1.50 1.55 -3.04 0.00 0.00 177.10 176.63 1ipk h PRO 114 N 7.97 0.00 -6.79 0.43 0.13 -1.86 -1.21 132.00 130.69 1ipk h PRO 114 Ca -0.12 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.45 1ipk h PRO 114 Cb 1.04 0.00 0.10 0.00 0.13 0.00 0.00 31.00 32.28 1ipk h PRO 114 CO 0.66 0.60 0.63 1.58 -0.23 0.00 0.00 178.00 181.24 1ipk n HIS 115 N -3.40 2.52 0.87 1.56 -0.00 -1.26 -4.59 115.22 110.93 1ipk n HIS 115 Ca 0.01 0.48 0.11 0.00 0.46 0.00 0.00 57.72 58.77 1ipk n HIS 115 Cb 0.71 -2.47 0.03 0.00 -0.12 0.00 0.00 29.99 28.13 1ipk n HIS 115 CO 0.00 0.00 0.00 -0.25 0.46 0.00 0.00 176.34 176.55 1ipk n ASP 116 N 0.98 0.72 0.00 0.26 8.00 -1.26 -1.84 116.55 123.42 1ipk n ASP 116 Ca 0.05 -0.56 0.00 0.00 0.71 0.00 0.00 54.79 54.99 1ipk n ASP 116 Cb 0.36 0.75 0.00 0.00 -0.02 0.00 0.00 41.12 42.22 1ipk n ASP 116 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 1ipk n HIS 117 N -1.63 0.00 -3.95 1.24 8.25 -1.26 -4.89 115.22 112.98 1ipk n HIS 117 Ca 0.04 -0.08 -0.14 0.00 -0.26 0.00 0.00 57.72 57.27 1ipk n HIS 117 Cb 0.36 -0.01 -0.15 0.00 1.12 0.00 0.00 29.99 31.32 1ipk n HIS 117 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 1ipk s GLN 118 N -0.16 0.16 0.51 -0.41 0.74 -1.26 -5.02 119.66 114.21 1ipk s GLN 118 Ca 0.00 -0.03 -0.18 0.00 0.05 0.00 0.00 55.36 55.21 1ipk s GLN 118 Cb 0.00 -0.20 -0.08 0.00 1.10 0.00 0.00 33.01 33.83 1ipk s GLN 118 CO 0.00 -0.00 1.00 -0.80 -0.55 0.00 0.00 175.29 174.93 1ipk s ASN 119 N 0.20 6.52 -0.17 6.67 0.02 -1.26 -4.37 114.94 122.54 1ipk s ASN 119 Ca -0.02 1.67 -0.12 0.00 -1.02 0.00 0.00 52.86 53.38 1ipk s ASN 119 Cb -0.04 -2.52 -0.05 0.00 0.02 0.00 0.00 41.25 38.66 1ipk s ASN 119 CO -0.01 -0.66 0.21 -0.22 0.02 0.00 0.00 177.10 176.44 1ipk s LEU 120 N -3.91 4.24 -0.25 0.60 2.96 -0.96 -3.83 118.68 117.53 1ipk s LEU 120 Ca 0.61 0.38 0.02 0.00 -0.22 0.00 0.00 54.13 54.92 1ipk s LEU 120 Cb -0.11 -2.22 0.06 0.00 0.50 0.00 0.00 46.19 44.42 1ipk s LEU 120 CO 0.28 0.16 -0.08 -0.75 -1.32 0.00 0.00 176.35 174.64 1ipk s LYS 121 N 0.29 1.94 -0.14 1.98 2.20 -0.63 -1.61 119.74 123.77 1ipk s LYS 121 Ca 0.12 -1.16 0.00 0.00 -0.36 0.00 0.00 55.97 54.58 1ipk s LYS 121 Cb -0.12 -2.73 -0.01 0.00 -1.51 0.00 0.00 37.83 33.46 1ipk s LYS 121 CO 0.01 -0.58 -0.15 0.42 -0.36 0.00 0.00 175.35 174.69 1ipk s ILE 122 N 1.25 2.77 0.12 5.43 1.01 0.27 -1.31 121.20 130.74 1ipk s ILE 122 Ca -0.07 -0.75 -0.06 0.00 0.00 0.00 0.00 60.65 59.78 1ipk s ILE 122 Cb -0.19 -2.16 -0.05 0.00 0.01 0.00 0.00 42.46 40.06 1ipk s ILE 122 CO -0.06 0.52 0.37 -0.51 0.00 0.00 0.00 174.94 175.26 1ipk s ILE 123 N 0.62 5.17 -0.07 2.92 1.10 -1.14 -0.61 121.20 129.19 1ipk s ILE 123 Ca -0.08 0.10 -0.07 0.00 -0.51 0.00 0.00 60.65 60.09 1ipk s ILE 123 Cb -0.16 -3.62 0.02 0.00 0.15 0.00 0.00 42.46 38.85 1ipk s ILE 123 CO 0.03 0.11 0.20 -0.75 -2.11 0.00 0.00 174.94 172.41 1ipk s LYS 124 N -2.47 0.25 -0.33 3.50 2.20 0.65 -1.20 119.74 122.34 1ipk s LYS 124 Ca 0.39 0.25 -0.07 0.00 -0.36 0.00 0.00 55.97 56.18 1ipk s LYS 124 Cb -0.12 0.12 0.03 0.00 -1.51 0.00 0.00 37.83 36.35 1ipk s LYS 124 CO 0.23 -0.03 0.10 -1.17 -0.36 0.00 0.00 175.35 174.12 1ipk s LEU 125 N 0.04 4.22 0.09 5.43 2.96 -1.20 -0.50 118.68 129.72 1ipk s LEU 125 Ca -0.01 -1.02 -0.13 0.00 -0.22 0.00 0.00 54.13 52.75 1ipk s LEU 125 Cb -0.02 -1.88 -0.06 0.00 0.50 0.00 0.00 46.19 44.73 1ipk s LEU 125 CO 0.00 -0.30 0.47 0.00 -1.32 0.00 0.00 176.35 175.21 1ipk s ALA 126 N 1.44 3.65 -0.46 5.97 0.00 -0.09 -2.65 121.76 129.61 1ipk s ALA 126 Ca -0.00 -0.21 0.03 0.00 0.00 0.00 0.00 51.96 51.77 1ipk s ALA 126 Cb -0.19 -2.42 0.16 0.00 0.00 0.00 0.00 23.12 20.66 1ipk s ALA 126 CO 0.03 0.49 0.32 0.42 0.00 0.00 0.00 175.76 177.02 1ipk s ILE 127 N -1.33 1.04 0.20 0.00 1.01 -0.86 -2.59 121.20 118.68 1ipk s ILE 127 Ca 0.33 -2.78 -0.32 0.00 0.00 0.00 0.00 60.65 57.87 1ipk s ILE 127 Cb -0.15 -1.72 -0.15 0.00 0.01 0.00 0.00 42.46 40.45 1ipk s ILE 127 CO 0.18 -1.07 1.21 -2.65 0.00 0.00 0.00 174.94 172.60 1ipk n PRO 128 N 3.04 1.41 0.06 2.79 -0.02 -1.26 -2.82 135.00 138.20 1ipk n PRO 128 Ca 0.20 0.50 0.07 0.00 -2.02 0.00 0.00 63.50 62.25 1ipk n PRO 128 Cb 0.41 -2.03 -0.06 0.00 -0.02 0.00 0.00 33.50 31.80 1ipk n PRO 128 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1ipk n VAL 129 N 1.47 0.71 0.00 -1.45 0.31 -1.14 -4.77 118.33 113.46 1ipk n VAL 129 Ca 0.14 -0.59 0.00 0.00 -0.01 0.00 0.00 64.34 63.87 1ipk n VAL 129 Cb 0.27 -0.40 0.00 0.00 -0.91 0.00 0.00 33.84 32.80 1ipk n VAL 129 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 1ipk n ASN 130 N -2.67 0.00 -4.87 4.52 5.03 -1.26 -5.01 115.26 111.00 1ipk n ASN 130 Ca -0.05 0.00 -0.33 0.00 0.87 0.00 0.00 54.58 55.07 1ipk n ASN 130 Cb 0.66 -0.22 -0.05 0.00 -1.02 0.00 0.00 39.78 39.15 1ipk n ASN 130 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 1ipk s LYS 131 N -0.58 3.79 0.14 3.52 3.01 -1.26 -5.04 119.74 123.31 1ipk s LYS 131 Ca 0.00 0.21 -0.30 0.00 -1.01 0.00 0.00 55.97 54.87 1ipk s LYS 131 Cb 0.00 -2.84 -0.07 0.00 -1.01 0.00 0.00 37.83 33.91 1ipk s LYS 131 CO 0.00 0.45 1.19 -2.14 0.51 0.00 0.00 175.35 175.35 1ipk s PRO 132 N -2.37 4.48 0.00 -1.68 0.02 -1.26 -3.35 135.00 130.84 1ipk s PRO 132 Ca 0.40 1.82 0.00 0.00 0.02 0.00 0.00 61.00 63.24 1ipk s PRO 132 Cb -0.13 -3.28 0.00 0.00 0.02 0.00 0.00 34.50 31.11 1ipk s PRO 132 CO 0.21 -0.13 0.00 0.41 -0.33 0.00 0.00 177.00 177.15 1ipk n GLY 133 N 2.57 0.30 2.88 0.52 0.00 -1.02 -4.90 105.19 105.54 1ipk n GLY 133 Ca 0.06 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.93 1ipk n GLY 133 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ipk s ARG 134 N -0.90 0.06 0.18 1.61 0.52 -1.21 -4.83 118.95 114.38 1ipk s ARG 134 Ca 0.00 0.38 0.01 0.00 -0.52 0.00 0.00 55.73 55.60 1ipk s ARG 134 Cb 0.00 -0.21 -0.00 0.00 0.52 0.00 0.00 34.95 35.25 1ipk s ARG 134 CO 0.00 -0.20 0.04 2.48 0.02 0.00 0.00 175.30 177.64 1ipk n TYR 135 N 4.43 0.23 -3.88 -0.53 4.11 -1.26 -4.21 117.16 116.05 1ipk n TYR 135 Ca -0.22 -1.05 -0.11 0.00 -0.00 0.00 0.00 57.90 56.52 1ipk n TYR 135 Cb 0.51 -0.06 -0.10 0.00 -0.00 0.00 0.00 39.34 39.69 1ipk n TYR 135 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.86 176.35 1ipk s ASP 136 N -2.07 0.04 -0.19 9.48 1.01 -1.26 -5.00 116.67 118.69 1ipk s ASP 136 Ca 0.05 -0.22 -0.08 0.00 0.71 0.00 0.00 52.55 53.01 1ipk s ASP 136 Cb 0.00 0.20 -0.04 0.00 1.01 0.00 0.00 42.92 44.09 1ipk s ASP 136 CO 0.04 -0.36 0.07 -1.81 0.21 0.00 0.00 175.17 173.31 1ipk s ASP 137 N -1.37 5.65 -0.30 0.27 1.01 -1.26 -1.94 116.67 118.73 1ipk s ASP 137 Ca -0.15 0.08 -0.09 0.00 0.71 0.00 0.00 52.55 53.10 1ipk s ASP 137 Cb -0.08 -1.97 -0.00 0.00 1.01 0.00 0.00 42.92 41.88 1ipk s ASP 137 CO 0.01 0.17 0.13 -0.36 0.21 0.00 0.00 175.17 175.33 1ipk s PHE 138 N 0.43 3.17 -0.26 4.23 0.40 0.53 -5.00 117.98 121.47 1ipk s PHE 138 Ca 0.03 -0.65 -0.10 0.00 -0.60 0.00 0.00 56.93 55.61 1ipk s PHE 138 Cb -0.12 -2.33 -0.05 0.00 0.51 0.00 0.00 43.02 41.03 1ipk s PHE 138 CO 0.00 -0.47 0.16 -0.06 0.70 0.00 0.00 175.22 175.55 1ipk s PHE 139 N 1.59 3.24 0.11 0.36 0.40 -1.26 -0.99 117.98 121.44 1ipk s PHE 139 Ca 0.04 0.11 -0.07 0.00 -0.60 0.00 0.00 56.93 56.41 1ipk s PHE 139 Cb -0.17 -2.32 -0.13 0.00 0.51 0.00 0.00 43.02 40.91 1ipk s PHE 139 CO 0.05 -0.08 1.27 1.25 0.70 0.00 0.00 175.22 178.41 1ipk h LEU 140 N 7.98 0.64-10.15 -0.37 6.46 -1.78 -2.53 115.31 115.57 1ipk h LEU 140 Ca -0.36 -0.51 -0.51 0.00 -0.12 0.00 0.00 57.88 56.37 1ipk h LEU 140 Cb 1.18 -0.20 0.11 0.00 -0.73 0.00 0.00 40.66 41.02 1ipk h LEU 140 CO 0.60 1.31 0.41 -0.94 -0.62 0.00 0.00 178.44 179.19 1ipk s SER 141 N -7.14 5.11 -0.25 1.25 1.04 -1.24 -4.54 113.70 107.94 1ipk s SER 141 Ca -0.07 2.16 0.00 0.00 0.48 0.00 0.00 55.95 58.52 1ipk s SER 141 Cb 0.08 -2.57 0.04 0.00 0.10 0.00 0.00 66.02 63.67 1ipk s SER 141 CO 0.88 -1.63 -0.09 -0.55 0.98 0.00 0.00 173.24 172.83 1ipk s SER 142 N -2.15 4.21 0.35 7.02 0.15 -1.26 -3.38 113.70 118.64 1ipk s SER 142 Ca 0.71 -1.03 0.03 0.00 0.70 0.00 0.00 55.95 56.37 1ipk s SER 142 Cb -0.24 -1.60 -0.05 0.00 -1.71 0.00 0.00 66.02 62.42 1ipk s SER 142 CO 0.37 -0.14 0.09 0.42 1.20 0.00 0.00 173.24 175.19 1ipk s THR 143 N 1.25 0.84 0.56 6.45 -4.23 -1.26 -4.49 115.64 114.76 1ipk s THR 143 Ca -0.02 -2.00 0.34 0.00 -1.18 0.00 0.00 61.69 58.83 1ipk s THR 143 Cb -0.17 -2.59 0.37 0.00 1.34 0.00 0.00 72.50 71.45 1ipk s THR 143 CO -0.06 0.00 2.25 1.56 -0.54 0.00 0.00 174.62 177.83 1ipk h GLN 144 N 2.03 0.00 0.00 3.99 4.20 -0.73 -3.19 115.11 121.41 1ipk h GLN 144 Ca -0.38 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.33 1ipk h GLN 144 Cb 1.26 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.04 1ipk h GLN 144 CO 0.63 0.02 -0.19 0.00 -0.67 0.00 0.00 178.83 178.62 1ipk h ALA 145 N 1.98 0.00 -3.00 3.87 0.00 -1.90 -3.47 119.26 116.74 1ipk h ALA 145 Ca -0.00 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1ipk h ALA 145 Cb 0.09 0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1ipk h ALA 145 CO 0.00 0.19 0.00 0.00 0.00 0.00 0.00 179.25 179.45 1ipk n GLN 146 N -4.61 2.64 -3.66 0.00 10.64 -1.21 -5.00 117.38 116.19 1ipk n GLN 146 Ca -0.03 0.00 -0.07 0.00 -1.83 0.00 0.00 57.00 55.08 1ipk n GLN 146 Cb 0.10 0.00 -0.08 0.00 -0.86 0.00 0.00 30.24 29.40 1ipk n GLN 146 CO 0.00 0.00 0.00 -1.14 -1.83 0.00 0.00 177.06 174.09 1ipk s GLN 147 N 2.30 0.52 0.28 2.61 0.74 -1.26 -4.20 119.66 120.65 1ipk s GLN 147 Ca 0.00 1.14 -0.28 0.00 0.05 0.00 0.00 55.36 56.27 1ipk s GLN 147 Cb 0.00 0.33 -0.14 0.00 1.10 0.00 0.00 33.01 34.30 1ipk s GLN 147 CO 0.00 -0.19 0.96 0.45 -0.55 0.00 0.00 175.29 175.96 1ipk n SER 148 N 4.82 1.02 0.28 6.67 2.88 -1.22 -4.79 113.62 123.28 1ipk n SER 148 Ca -0.16 1.17 0.17 0.00 -1.33 0.00 0.00 58.87 58.72 1ipk n SER 148 Cb 0.54 -1.25 0.67 0.00 -0.75 0.00 0.00 64.21 63.42 1ipk n SER 148 CO 0.00 0.00 0.00 0.10 -1.23 0.00 0.00 175.04 173.91 1ipk h TYR 149 N 1.87 0.00 0.00 0.66 -0.00 -1.69 -1.30 116.97 116.51 1ipk h TYR 149 Ca -0.38 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.35 1ipk h TYR 149 Cb 1.35 0.00 0.00 0.00 0.00 0.00 0.00 36.73 38.08 1ipk h TYR 149 CO 0.47 0.00 0.00 1.28 -0.00 0.00 0.00 178.16 179.91 1ipk n LEU 150 N -3.08 0.41 -0.40 0.10 4.32 -1.26 -1.44 117.00 115.65 1ipk n LEU 150 Ca 0.01 0.67 0.12 0.00 -0.02 0.00 0.00 56.01 56.78 1ipk n LEU 150 Cb 0.31 -0.69 0.49 0.00 -1.62 0.00 0.00 43.42 41.92 1ipk n LEU 150 CO 0.27 -0.73 0.84 1.67 -1.22 0.00 0.00 177.39 178.23 1ipk n GLN 151 N -2.03 1.53 0.07 3.23 7.27 -0.49 -3.64 117.38 123.32 1ipk n GLN 151 Ca -0.00 -0.79 0.12 0.00 0.07 0.00 0.00 57.00 56.40 1ipk n GLN 151 Cb 0.07 -1.41 0.24 0.00 2.41 0.00 0.00 30.24 31.55 1ipk n GLN 151 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1ipk n GLY 152 N 1.08 -1.49 3.90 1.69 0.00 -0.52 -4.89 105.19 104.95 1ipk n GLY 152 Ca 0.17 -0.19 -0.28 0.00 0.00 0.00 0.00 46.02 45.72 1ipk n GLY 152 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ipk s PHE 153 N -3.15 3.23 0.35 1.61 0.40 -1.24 -5.05 117.98 114.14 1ipk s PHE 153 Ca 0.07 0.80 -0.21 0.00 -0.60 0.00 0.00 56.93 57.00 1ipk s PHE 153 Cb 0.13 -2.98 -0.10 0.00 0.51 0.00 0.00 43.02 40.58 1ipk s PHE 153 CO 0.69 -1.10 0.87 -1.54 0.70 0.00 0.00 175.22 174.84 1ipk s SER 154 N -4.37 7.02 0.48 1.36 1.04 -1.26 -4.90 113.70 113.06 1ipk s SER 154 Ca 0.57 1.60 0.26 0.00 0.48 0.00 0.00 55.95 58.87 1ipk s SER 154 Cb -0.11 -2.50 1.32 0.00 0.10 0.00 0.00 66.02 64.84 1ipk s SER 154 CO 0.48 -0.21 1.84 0.45 0.98 0.00 0.00 173.24 176.79 1ipk h HIS 155 N 2.48 0.26 -0.49 5.02 -0.00 -1.97 0.49 115.15 120.95 1ipk h HIS 155 Ca -0.48 0.01 -0.09 0.00 -0.00 0.00 0.00 60.37 59.81 1ipk h HIS 155 Cb 1.18 -0.08 -0.02 0.00 -0.00 0.00 0.00 27.41 28.50 1ipk h HIS 155 CO 0.62 0.04 -0.06 -0.91 -0.00 0.00 0.00 177.93 177.63 1ipk h ASN 156 N 0.18 0.84 -0.01 2.45 4.21 -1.99 -1.61 115.58 119.65 1ipk h ASN 156 Ca 0.50 -0.24 -0.12 0.00 1.21 0.00 0.00 56.30 57.65 1ipk h ASN 156 Cb 1.64 -0.23 0.01 0.00 -1.12 0.00 0.00 38.32 38.62 1ipk h ASN 156 CO -0.11 0.94 -0.45 0.40 -1.29 0.00 0.00 177.43 176.92 1ipk h ILE 157 N 0.78 1.47 0.00 2.81 5.03 -1.30 -2.08 117.51 124.22 1ipk h ILE 157 Ca 0.14 -2.00 -0.01 0.00 -0.12 0.00 0.00 64.86 62.87 1ipk h ILE 157 Cb 0.55 2.62 -0.00 0.00 -3.03 0.00 0.00 36.82 36.97 1ipk h ILE 157 CO 0.03 0.57 -0.04 -0.07 -0.68 0.00 0.00 178.15 177.96 1ipk h LEU 158 N -0.24 0.00 -0.07 1.44 3.38 -1.38 0.80 115.31 119.24 1ipk h LEU 158 Ca -0.05 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 1ipk h LEU 158 Cb 1.18 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.92 1ipk h LEU 158 CO 0.09 0.04 -0.10 -0.33 0.09 0.00 0.00 178.44 178.23 1ipk h GLU 159 N 0.00 0.19 0.33 1.13 5.08 -1.26 -1.95 114.58 118.09 1ipk h GLU 159 Ca -0.00 -0.11 -0.02 0.00 -1.00 0.00 0.00 59.36 58.23 1ipk h GLU 159 Cb 0.08 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.34 1ipk h GLU 159 CO 0.01 0.67 -0.16 1.15 -1.00 0.00 0.00 179.01 179.67 1ipk h THR 160 N -0.27 0.70 -0.56 1.13 2.02 -0.42 0.14 112.91 115.65 1ipk h THR 160 Ca 0.01 -0.37 0.00 0.00 0.77 0.00 0.00 66.41 66.82 1ipk h THR 160 Cb 0.64 0.89 -0.03 0.00 -1.74 0.00 0.00 68.15 67.92 1ipk h THR 160 CO 0.02 0.07 0.36 0.28 0.37 0.00 0.00 175.52 176.63 1ipk h SER 161 N -0.64 0.66 0.84 4.18 0.02 0.45 -3.19 113.55 115.86 1ipk h SER 161 Ca -0.04 -0.03 -0.15 0.00 -0.84 0.00 0.00 61.79 60.72 1ipk h SER 161 Cb 0.46 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 62.81 1ipk h SER 161 CO 0.07 0.49 -1.25 -0.26 -1.14 0.00 0.00 176.83 174.75 1ipk h PHE 162 N 0.76 0.00 -3.51 3.45 0.04 -1.41 -3.49 116.94 112.78 1ipk h PHE 162 Ca 0.20 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.93 1ipk h PHE 162 Cb -0.06 0.00 0.03 0.00 2.20 0.00 0.00 35.95 38.12 1ipk h PHE 162 CO -0.03 0.55 -0.14 1.58 -0.60 0.00 0.00 178.31 179.68 1ipk n HIS 163 N -2.94 -0.54 -3.59 -0.55 -0.00 0.47 -5.07 115.22 102.99 1ipk n HIS 163 Ca -0.07 0.19 -0.08 0.00 -0.00 0.00 0.00 57.72 57.76 1ipk n HIS 163 Cb 0.82 -2.65 -0.05 0.00 -0.00 0.00 0.00 29.99 28.11 1ipk n HIS 163 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 1ipk s SER 164 N -2.87 -0.28 0.29 0.26 0.15 -1.06 -5.06 113.70 105.14 1ipk s SER 164 Ca 0.07 0.29 -0.30 0.00 0.70 0.00 0.00 55.95 56.71 1ipk s SER 164 Cb -0.01 0.23 -0.12 0.00 -1.71 0.00 0.00 66.02 64.41 1ipk s SER 164 CO 0.16 -0.26 1.48 -0.62 1.20 0.00 0.00 173.24 175.20 1ipk n GLU 165 N 0.63 2.41 -0.30 5.44 4.71 -1.26 -4.48 120.64 127.80 1ipk n GLU 165 Ca -0.07 0.86 0.19 0.00 -0.01 0.00 0.00 57.16 58.12 1ipk n GLU 165 Cb 0.58 -2.57 0.46 0.00 -1.01 0.00 0.00 31.44 28.91 1ipk n GLU 165 CO 0.00 0.00 0.00 0.35 0.09 0.00 0.00 177.13 177.57 1ipk h PHE 166 N 4.10 0.71 -0.91 -0.32 3.04 -1.94 0.91 116.94 122.53 1ipk h PHE 166 Ca -0.47 0.02 0.08 0.00 3.98 0.00 0.00 57.97 61.59 1ipk h PHE 166 Cb 1.25 -0.21 -0.07 0.00 2.56 0.00 0.00 35.95 39.48 1ipk h PHE 166 CO 0.56 0.14 0.56 1.49 -2.02 0.00 0.00 178.31 179.04 1ipk h GLU 167 N 0.49 0.94 -0.64 1.11 4.81 -1.99 0.17 114.58 119.48 1ipk h GLU 167 Ca 0.54 -0.06 -0.05 0.00 -0.13 0.00 0.00 59.36 59.67 1ipk h GLU 167 Cb 1.22 -0.21 -0.03 0.00 0.63 0.00 0.00 28.75 30.36 1ipk h GLU 167 CO -0.27 0.63 0.21 1.49 -0.73 0.00 0.00 179.01 180.34 1ipk h GLU 168 N 0.97 0.96 -0.48 1.92 4.81 -1.16 -0.76 114.58 120.85 1ipk h GLU 168 Ca 0.42 -0.18 -0.13 0.00 -0.13 0.00 0.00 59.36 59.34 1ipk h GLU 168 Cb 0.29 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.50 1ipk h GLU 168 CO -0.21 0.82 -0.22 0.82 -0.73 0.00 0.00 179.01 179.49 1ipk h ILE 169 N 0.94 1.27 -0.25 2.32 1.08 -0.91 -2.81 117.51 119.14 1ipk h ILE 169 Ca 0.21 -1.38 0.00 0.00 -0.39 0.00 0.00 64.86 63.30 1ipk h ILE 169 Cb 0.25 1.13 -0.01 0.00 -3.07 0.00 0.00 36.82 35.11 1ipk h ILE 169 CO -0.01 0.48 0.17 -1.13 -0.69 0.00 0.00 178.15 176.96 1ipk h ASN 170 N 0.85 0.29 0.10 1.72 -0.00 -0.15 0.17 115.58 118.56 1ipk h ASN 170 Ca 0.11 -0.01 -0.07 0.00 -0.00 0.00 0.00 56.30 56.32 1ipk h ASN 170 Cb 0.79 -0.07 -0.01 0.00 -0.00 0.00 0.00 38.32 39.03 1ipk h ASN 170 CO 0.07 0.21 -0.24 -0.09 -0.00 0.00 0.00 177.43 177.38 1ipk h ARG 171 N 0.34 0.25 0.00 6.67 2.43 -1.12 0.28 114.38 123.23 1ipk h ARG 171 Ca 0.09 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 1ipk h ARG 171 Cb -0.03 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.49 1ipk h ARG 171 CO -0.02 0.48 -1.56 0.28 -1.51 0.00 0.00 179.97 177.64 1ipk n VAL 172 N -4.17 0.00 -0.02 0.20 0.31 -1.07 -4.70 118.33 108.89 1ipk n VAL 172 Ca -0.01 -0.32 -0.04 0.00 -0.01 0.00 0.00 64.34 63.96 1ipk n VAL 172 Cb 0.35 0.35 -0.01 0.00 -0.91 0.00 0.00 33.84 33.62 1ipk n VAL 172 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1ipk n LEU 173 N -1.94 0.60 -0.02 7.52 4.77 0.57 -4.96 117.00 123.55 1ipk n LEU 173 Ca -0.01 0.04 -0.01 0.00 -0.03 0.00 0.00 56.01 55.99 1ipk n LEU 173 Cb 0.43 -0.12 -0.00 0.00 -2.33 0.00 0.00 43.42 41.40 1ipk n LEU 173 CO 0.39 0.14 -0.10 -0.26 -1.33 0.00 0.00 177.39 176.23 1ipk h PHE 174 N -0.13 0.00 0.00 -1.77 0.04 -1.58 -3.40 116.94 110.10 1ipk h PHE 174 Ca -0.10 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.67 1ipk h PHE 174 Cb 1.09 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.24 1ipk h PHE 174 CO -0.01 0.00 0.00 0.41 -0.60 0.00 0.00 178.31 178.11 1ipk n GLY 175 N 1.72 1.12 3.70 -1.45 0.00 0.99 -4.80 105.19 106.46 1ipk n GLY 175 Ca -0.02 -0.48 -0.42 0.00 0.00 0.00 0.00 46.02 45.10 1ipk n GLY 175 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ipk s GLU 176 N -2.60 4.28 0.00 1.61 2.02 -1.26 -2.46 118.70 120.29 1ipk s GLU 176 Ca 0.00 2.06 0.00 0.00 0.02 0.00 0.00 54.97 57.05 1ipk s GLU 176 Cb 0.00 -3.49 0.00 0.00 0.10 0.00 0.00 34.13 30.74 1ipk s GLU 176 CO 0.00 -0.56 0.00 0.39 0.02 0.00 0.00 175.26 175.11 1ipk n GLU 177 N 5.02 0.00 -2.30 1.61 -0.58 -1.26 -4.89 120.64 118.24 1ipk n GLU 177 Ca 0.13 0.29 0.01 0.00 -0.42 0.00 0.00 57.16 57.17 1ipk n GLU 177 Cb 0.43 -3.03 0.04 0.00 -0.57 0.00 0.00 31.44 28.31 1ipk n GLU 177 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1ipk n GLU 178 N -2.82 1.06 -0.25 3.49 1.02 -1.03 -4.99 120.64 117.13 1ipk n GLU 178 Ca 0.00 -2.69 0.14 0.00 -0.02 0.00 0.00 57.16 54.59 1ipk n GLU 178 Cb 0.00 -0.80 0.26 0.00 -0.02 0.00 0.00 31.44 30.88 1ipk n GLU 178 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1ipk n GLU 179 N -0.31 -0.05 -0.16 3.49 1.02 -1.25 0.53 120.64 123.90 1ipk n GLU 179 Ca 0.03 1.06 0.16 0.00 -0.02 0.00 0.00 57.16 58.38 1ipk n GLU 179 Cb 0.91 -1.74 0.51 0.00 -0.02 0.00 0.00 31.44 31.10 1ipk n GLU 179 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 1ipk h GLN 180 N 0.00 0.39 0.00 3.49 4.20 -1.94 0.92 115.11 122.18 1ipk h GLN 180 Ca 0.48 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 59.17 1ipk h GLN 180 Cb 1.07 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.76 1ipk h GLN 180 CO -0.65 0.26 0.00 0.54 -0.67 0.00 0.00 178.83 178.31 1ipk n ARG 181 N -4.48 0.10 -2.49 1.46 1.74 0.19 -4.79 116.66 108.39 1ipk n ARG 181 Ca 0.14 0.23 -0.23 0.00 -0.77 0.00 0.00 57.85 57.22 1ipk n ARG 181 Cb 0.53 -1.65 0.05 0.00 -1.02 0.00 0.00 32.46 30.36 1ipk n ARG 181 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1ipk s GLN 182 N -3.10 2.48 0.32 5.56 -0.21 0.32 -5.10 119.66 119.93 1ipk s GLN 182 Ca 0.09 -0.52 0.08 0.00 0.02 0.00 0.00 55.36 55.02 1ipk s GLN 182 Cb 0.12 -2.36 -0.03 0.00 1.00 0.00 0.00 33.01 31.73 1ipk s GLN 182 CO 0.42 -0.87 0.21 -1.14 -2.12 0.00 0.00 175.29 171.79 1ipk s GLN 183 N -4.94 2.60 -0.37 2.91 2.00 -1.26 -4.91 119.66 115.70 1ipk s GLN 183 Ca 0.57 -1.35 -0.06 0.00 -2.00 0.00 0.00 55.36 52.53 1ipk s GLN 183 Cb -0.10 -2.37 0.07 0.00 0.80 0.00 0.00 33.01 31.41 1ipk s GLN 183 CO 0.41 0.17 0.16 -1.83 -0.50 0.00 0.00 175.29 173.70 1ipk s GLU 184 N -3.90 2.44 0.00 1.67 1.03 -1.26 0.05 118.70 118.73 1ipk s GLU 184 Ca 0.38 -1.44 0.00 0.00 0.03 0.00 0.00 54.97 53.94 1ipk s GLU 184 Cb -0.05 -3.54 0.00 0.00 -0.80 0.00 0.00 34.13 29.73 1ipk s GLU 184 CO 0.24 -0.85 0.00 0.41 -1.33 0.00 0.00 175.26 173.74 1ipk n GLY 185 N 4.76 0.71 0.04 -3.83 0.00 -1.26 -4.69 105.19 100.93 1ipk n GLY 185 Ca -0.09 -1.84 0.15 0.00 0.00 0.00 0.00 46.02 44.24 1ipk n GLY 185 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1ipk n VAL 186 N 0.92 0.00 -3.94 1.61 0.24 -1.26 -4.57 118.33 111.33 1ipk n VAL 186 Ca 0.00 -0.02 -0.30 0.00 -2.04 0.00 0.00 64.34 61.97 1ipk n VAL 186 Cb 0.00 -0.38 -0.15 0.00 -1.47 0.00 0.00 33.84 31.83 1ipk n VAL 186 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 1ipk s ILE 187 N -2.26 1.57 0.41 1.34 1.01 -1.26 0.39 121.20 122.40 1ipk s ILE 187 Ca 0.38 -1.34 0.08 0.00 0.00 0.00 0.00 60.65 59.77 1ipk s ILE 187 Cb 0.21 -1.87 -0.03 0.00 0.01 0.00 0.00 42.46 40.78 1ipk s ILE 187 CO 0.41 -0.18 0.31 0.68 0.00 0.00 0.00 174.94 176.17 1ipk s VAL 188 N 1.36 2.62 0.35 2.92 -7.23 -0.66 -4.75 120.40 115.02 1ipk s VAL 188 Ca -0.04 -1.45 0.07 0.00 -1.81 0.00 0.00 61.98 58.76 1ipk s VAL 188 Cb -0.19 -3.01 -0.01 0.00 0.56 0.00 0.00 36.38 33.73 1ipk s VAL 188 CO -0.08 -0.02 0.44 -0.70 -0.31 0.00 0.00 175.10 174.44 1ipk s GLU 189 N -4.06 2.96 0.23 4.82 2.12 -1.26 -0.92 118.70 122.59 1ipk s GLU 189 Ca 0.46 -1.14 -0.06 0.00 0.36 0.00 0.00 54.97 54.59 1ipk s GLU 189 Cb -0.01 -2.71 -0.02 0.00 0.26 0.00 0.00 34.13 31.64 1ipk s GLU 189 CO 0.26 0.01 0.31 -0.51 -0.54 0.00 0.00 175.26 174.79 1ipk s LEU 190 N -4.16 0.78 0.63 2.70 1.43 -0.95 -4.89 118.68 114.22 1ipk s LEU 190 Ca 0.46 -1.20 0.07 0.00 -1.03 0.00 0.00 54.13 52.43 1ipk s LEU 190 Cb -0.08 1.06 0.11 0.00 0.03 0.00 0.00 46.19 47.30 1ipk s LEU 190 CO 0.30 -1.00 0.87 -0.94 0.23 0.00 0.00 176.35 175.81 1ipk s SER 191 N -3.10 4.81 0.24 2.29 1.04 -1.26 -4.96 113.70 112.75 1ipk s SER 191 Ca 0.31 -0.74 0.25 0.00 0.48 0.00 0.00 55.95 56.25 1ipk s SER 191 Cb 0.03 0.28 0.58 0.00 0.10 0.00 0.00 66.02 67.01 1ipk s SER 191 CO 0.11 -1.55 1.61 0.50 0.98 0.00 0.00 173.24 174.89 1ipk h LYS 192 N -0.08 0.00 0.14 4.02 1.63 -2.00 -3.05 116.57 117.23 1ipk h LYS 192 Ca -0.31 0.00 -0.28 0.00 -0.85 0.00 0.00 60.65 59.21 1ipk h LYS 192 Cb 1.28 0.00 0.01 0.00 -0.60 0.00 0.00 32.23 32.92 1ipk h LYS 192 CO 0.40 0.00 -1.26 1.49 -3.45 0.00 0.00 179.45 176.63 1ipk h GLU 193 N 0.00 0.37 0.91 1.90 4.57 -1.98 -2.12 114.58 118.22 1ipk h GLU 193 Ca 0.00 -0.59 -0.04 0.00 -1.18 0.00 0.00 59.36 57.55 1ipk h GLU 193 Cb 0.81 0.21 0.01 0.00 -0.16 0.00 0.00 28.75 29.62 1ipk h GLU 193 CO 0.00 1.27 -0.44 1.96 -1.18 0.00 0.00 179.01 180.62 1ipk h GLN 194 N 0.12 -1.18 -1.13 1.92 4.20 -1.97 0.23 115.11 117.32 1ipk h GLN 194 Ca -0.16 0.08 0.31 0.00 0.06 0.00 0.00 58.65 58.95 1ipk h GLN 194 Cb 1.96 0.27 -0.08 0.00 0.30 0.00 0.00 27.48 29.93 1ipk h GLN 194 CO 0.22 -0.78 0.76 0.82 -0.67 0.00 0.00 178.83 179.17 1ipk h ILE 195 N -1.26 0.44 0.44 2.54 2.04 -1.61 -1.01 117.51 119.09 1ipk h ILE 195 Ca -0.12 -0.08 -0.02 0.00 1.00 0.00 0.00 64.86 65.64 1ipk h ILE 195 Cb 0.94 0.20 0.00 0.00 -0.74 0.00 0.00 36.82 37.22 1ipk h ILE 195 CO 0.20 0.04 -0.21 -0.09 0.00 0.00 0.00 178.15 178.10 1ipk h ARG 196 N 0.22 -0.56 -1.04 2.37 2.43 -0.84 0.82 114.38 117.77 1ipk h ARG 196 Ca 0.61 0.04 0.29 0.00 -0.81 0.00 0.00 59.98 60.11 1ipk h ARG 196 Cb 1.90 0.13 -0.06 0.00 -0.42 0.00 0.00 29.97 31.52 1ipk h ARG 196 CO -0.20 -0.29 0.72 1.96 -1.51 0.00 0.00 179.97 180.65 1ipk h GLN 197 N -1.06 0.12 0.08 0.20 1.08 0.32 -0.53 115.11 115.32 1ipk h GLN 197 Ca -0.06 -0.01 -0.29 0.00 -1.45 0.00 0.00 58.65 56.84 1ipk h GLN 197 Cb 0.54 -0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 27.92 1ipk h GLN 197 CO 0.10 0.08 -1.55 -0.07 -0.95 0.00 0.00 178.83 176.44 1ipk h LEU 198 N 0.13 0.25 0.00 1.46 3.38 -1.32 -3.41 115.31 115.80 1ipk h LEU 198 Ca 0.52 -0.77 0.00 0.00 0.09 0.00 0.00 57.88 57.72 1ipk h LEU 198 Cb 1.82 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 42.49 1ipk h LEU 198 CO -0.09 1.65 0.35 -1.20 0.09 0.00 0.00 178.44 179.25 1ipk n SER 199 N -3.96 0.00 -2.89 -0.43 7.64 0.28 -4.37 113.62 109.89 1ipk n SER 199 Ca -0.30 0.00 -0.01 0.00 1.01 0.00 0.00 58.87 59.57 1ipk n SER 199 Cb 0.87 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 64.08 1ipk n SER 199 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1ipk s ARG 200 N -1.55 0.65 0.00 1.43 1.81 -1.25 -4.73 118.95 115.31 1ipk s ARG 200 Ca 0.00 -0.44 0.00 0.00 -1.72 0.00 0.00 55.73 53.57 1ipk s ARG 200 Cb 0.00 0.02 0.00 0.00 -0.45 0.00 0.00 34.95 34.52 1ipk s ARG 200 CO 0.00 -0.87 0.04 -2.13 -0.68 0.00 0.00 175.30 171.66 1ipk n ARG 201 N 3.51 0.00 -1.14 3.54 0.63 -1.26 -5.10 116.66 116.84 1ipk n ARG 201 Ca 0.12 -0.04 -0.34 0.00 -0.92 0.00 0.00 57.85 56.67 1ipk n ARG 201 Cb 0.59 -0.46 0.11 0.00 0.45 0.00 0.00 32.46 33.15 1ipk n ARG 201 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1ipk n ALA 202 N 0.00 -0.80 -2.56 5.13 0.00 -1.25 -4.67 120.51 116.36 1ipk n ALA 202 Ca 0.00 -0.32 -0.23 0.00 0.00 0.00 0.00 53.44 52.88 1ipk n ALA 202 Cb 0.27 -2.06 -0.13 0.00 0.00 0.00 0.00 19.45 17.53 1ipk n ALA 202 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1ipk s LYS 203 N -3.58 1.09 0.25 0.00 2.20 -0.62 -4.88 119.74 114.19 1ipk s LYS 203 Ca 0.69 -1.11 0.04 0.00 -0.36 0.00 0.00 55.97 55.24 1ipk s LYS 203 Cb -0.30 -1.31 -0.05 0.00 -1.51 0.00 0.00 37.83 34.66 1ipk s LYS 203 CO 0.55 0.30 -0.02 -1.12 -0.36 0.00 0.00 175.35 174.70 1ipk s SER 204 N -1.82 2.12 0.92 1.43 0.01 -1.26 0.73 113.70 115.84 1ipk s SER 204 Ca 0.05 -1.21 -0.10 0.00 1.31 0.00 0.00 55.95 56.00 1ipk s SER 204 Cb -0.10 -0.05 0.15 0.00 0.21 0.00 0.00 66.02 66.23 1ipk s SER 204 CO 0.04 -0.46 1.12 -0.94 0.41 0.00 0.00 173.24 173.41 1ipk s SER 205 N -3.35 2.94 0.23 2.44 1.04 -1.26 -4.90 113.70 110.85 1ipk s SER 205 Ca 0.29 2.03 -0.23 0.00 0.48 0.00 0.00 55.95 58.52 1ipk s SER 205 Cb 0.05 -2.51 0.04 0.00 0.10 0.00 0.00 66.02 63.70 1ipk s SER 205 CO 0.10 -3.06 0.82 -0.94 0.98 0.00 0.00 173.24 171.14 1ipk s SER 206 N -2.80 -0.22 0.50 7.02 1.04 -1.26 -5.00 113.70 112.98 1ipk s SER 206 Ca 0.66 -0.54 0.26 0.00 0.48 0.00 0.00 55.95 56.82 1ipk s SER 206 Cb -0.22 0.63 1.30 0.00 0.10 0.00 0.00 66.02 67.83 1ipk s SER 206 CO 0.58 -1.17 2.00 0.03 0.98 0.00 0.00 173.24 175.66 1ipk h ARG 207 N 2.00 0.00 -0.16 4.02 3.08 -1.98 -1.98 114.38 119.36 1ipk h ARG 207 Ca -0.21 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.84 1ipk h ARG 207 Cb 1.24 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.29 1ipk h ARG 207 CO 0.24 0.15 0.00 0.36 -1.07 0.00 0.00 179.97 179.65 1ipk n LYS 208 N -3.56 1.69 -0.02 0.04 2.85 -1.26 -3.60 118.16 114.29 1ipk n LYS 208 Ca -0.01 -1.03 0.09 0.00 -1.05 0.00 0.00 58.31 56.31 1ipk n LYS 208 Cb 0.29 -1.38 0.09 0.00 -0.65 0.00 0.00 35.03 33.39 1ipk n LYS 208 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 1ipk n THR 209 N 0.26 0.08 -0.23 0.58 -2.24 -0.74 -4.43 114.28 107.55 1ipk n THR 209 Ca 0.16 -0.54 0.03 0.00 -2.27 0.00 0.00 64.05 61.43 1ipk n THR 209 Cb 0.31 1.32 0.15 0.00 -2.10 0.00 0.00 70.33 70.01 1ipk n THR 209 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 1ipk h ILE 210 N 3.66 0.68 -2.95 2.28 1.08 -1.66 -3.15 117.51 117.45 1ipk h ILE 210 Ca 0.00 -0.14 -0.72 0.00 -0.39 0.00 0.00 64.86 63.61 1ipk h ILE 210 Cb 0.79 0.25 -0.34 0.00 -3.07 0.00 0.00 36.82 34.45 1ipk h ILE 210 CO 0.00 0.07 0.12 -1.20 -0.69 0.00 0.00 178.15 176.45 1ipk n SER 211 N -5.03 4.93 -3.85 1.72 7.64 -1.26 -4.24 113.62 113.53 1ipk n SER 211 Ca 0.12 -3.29 -0.12 0.00 1.01 0.00 0.00 58.87 56.59 1ipk n SER 211 Cb 0.36 -1.06 -0.13 0.00 -1.01 0.00 0.00 64.21 62.37 1ipk n SER 211 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1ipk s SER 212 N -1.09 -0.06 0.09 6.43 0.15 -1.19 -4.93 113.70 113.10 1ipk s SER 212 Ca 0.32 0.11 0.27 0.00 0.70 0.00 0.00 55.95 57.35 1ipk s SER 212 Cb 0.02 0.17 0.97 0.00 -1.71 0.00 0.00 66.02 65.47 1ipk s SER 212 CO -0.02 -0.07 1.80 -0.62 1.20 0.00 0.00 173.24 175.53 1ipk n GLU 213 N 2.84 0.12 -0.00 5.44 -0.58 -1.26 -4.21 120.64 122.99 1ipk n GLU 213 Ca -0.14 0.09 -0.00 0.00 -0.42 0.00 0.00 57.16 56.69 1ipk n GLU 213 Cb 0.59 -1.63 -0.00 0.00 -0.57 0.00 0.00 31.44 29.82 1ipk n GLU 213 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 1ipk n ASP 214 N -1.84 2.83 -4.88 1.62 4.64 -1.26 -4.71 116.55 112.95 1ipk n ASP 214 Ca 0.06 -0.00 -0.30 0.00 -1.38 0.00 0.00 54.79 53.17 1ipk n ASP 214 Cb 0.38 -0.00 -0.00 0.00 -1.04 0.00 0.00 41.12 40.46 1ipk n ASP 214 CO 0.00 0.00 0.00 -1.61 -0.82 0.00 0.00 177.20 174.77 1ipk s GLU 215 N -2.00 3.64 0.27 -0.67 2.02 -1.26 -4.80 118.70 115.89 1ipk s GLU 215 Ca -0.00 0.55 -0.29 0.00 0.02 0.00 0.00 54.97 55.25 1ipk s GLU 215 Cb 0.00 -2.23 -0.10 0.00 0.10 0.00 0.00 34.13 31.91 1ipk s GLU 215 CO 0.00 -0.35 1.25 -1.25 0.02 0.00 0.00 175.26 174.94 1ipk s PRO 216 N -4.74 4.44 -0.03 0.39 0.04 -1.26 -4.82 135.00 129.02 1ipk s PRO 216 Ca 0.52 2.05 0.05 0.00 0.04 0.00 0.00 61.00 63.66 1ipk s PRO 216 Cb -0.11 -3.15 -0.03 0.00 0.04 0.00 0.00 34.50 31.26 1ipk s PRO 216 CO 0.46 -0.11 -0.16 -0.59 0.04 0.00 0.00 177.00 176.63 1ipk s PHE 217 N -0.68 2.63 -0.36 0.56 -0.71 -0.90 -4.17 117.98 114.35 1ipk s PHE 217 Ca 0.51 -0.21 -0.19 0.00 -1.04 0.00 0.00 56.93 56.00 1ipk s PHE 217 Cb -0.37 -1.59 -0.00 0.00 -1.21 0.00 0.00 43.02 39.86 1ipk s PHE 217 CO 0.44 0.16 0.55 1.21 -1.34 0.00 0.00 175.22 176.25 1ipk s ASN 218 N -0.82 6.34 0.14 1.98 3.84 -1.26 -2.17 114.94 122.99 1ipk s ASN 218 Ca 0.12 -0.02 -0.27 0.00 0.21 0.00 0.00 52.86 52.91 1ipk s ASN 218 Cb -0.10 -2.28 -0.02 0.00 -0.55 0.00 0.00 41.25 38.29 1ipk s ASN 218 CO 0.01 -0.52 1.60 0.25 -2.79 0.00 0.00 177.10 175.64 1ipk h LEU 219 N 9.19 -1.15 0.00 3.21 7.12 -1.40 -1.19 115.31 131.10 1ipk h LEU 219 Ca -0.27 0.17 0.00 0.00 0.13 0.00 0.00 57.88 57.90 1ipk h LEU 219 Cb 1.12 0.49 0.00 0.00 -0.53 0.00 0.00 40.66 41.74 1ipk h LEU 219 CO 0.79 -0.38 0.00 0.54 -0.13 0.00 0.00 178.44 179.27 1ipk n ARG 220 N -5.42 0.26 0.00 1.25 1.74 -1.26 -4.33 116.66 108.90 1ipk n ARG 220 Ca -0.03 0.06 0.00 0.00 -0.77 0.00 0.00 57.85 57.11 1ipk n ARG 220 Cb 0.34 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.28 1ipk n ARG 220 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1ipk n SER 221 N -1.34 0.00 -4.42 0.55 2.88 -0.45 -4.62 113.62 106.23 1ipk n SER 221 Ca 0.10 0.03 -0.32 0.00 -1.33 0.00 0.00 58.87 57.35 1ipk n SER 221 Cb 0.22 0.00 0.15 0.00 -0.75 0.00 0.00 64.21 63.83 1ipk n SER 221 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1ipk n ARG 222 N -0.05 -0.83 -0.72 -1.46 1.74 -1.26 -4.94 116.66 109.14 1ipk n ARG 222 Ca 0.00 -0.20 -0.32 0.00 -0.77 0.00 0.00 57.85 56.56 1ipk n ARG 222 Cb 0.00 -1.91 0.16 0.00 -1.02 0.00 0.00 32.46 29.69 1ipk n ARG 222 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 1ipk n ASN 223 N -2.08 -0.22 -4.79 0.55 0.23 -1.26 -5.01 115.26 102.68 1ipk n ASN 223 Ca 0.06 0.41 -0.36 0.00 -0.53 0.00 0.00 54.58 54.16 1ipk n ASN 223 Cb 0.56 -1.41 -0.06 0.00 -2.08 0.00 0.00 39.78 36.78 1ipk n ASN 223 CO 0.00 0.00 0.00 -2.16 -0.93 0.00 0.00 177.26 174.17 1ipk s PRO 224 N -4.37 4.34 0.13 -0.53 0.04 -1.26 -4.75 135.00 128.61 1ipk s PRO 224 Ca 0.65 1.33 -0.07 0.00 0.04 0.00 0.00 61.00 62.94 1ipk s PRO 224 Cb -0.23 -2.54 -0.07 0.00 0.04 0.00 0.00 34.50 31.70 1ipk s PRO 224 CO 0.60 0.05 1.34 -0.84 0.04 0.00 0.00 177.00 178.19 1ipk h ILE 225 N 2.27 1.34 -3.18 0.56 3.07 0.10 -3.42 117.51 118.25 1ipk h ILE 225 Ca -0.48 -2.15 -0.54 0.00 1.55 0.00 0.00 64.86 63.24 1ipk h ILE 225 Cb 1.20 2.15 -0.37 0.00 -0.27 0.00 0.00 36.82 39.53 1ipk h ILE 225 CO 0.63 0.66 -0.81 -0.31 -1.05 0.00 0.00 178.15 177.27 1ipk s TYR 226 N -3.57 1.62 -0.04 0.16 2.02 -1.18 -5.01 117.35 111.35 1ipk s TYR 226 Ca -0.08 -0.83 -0.02 0.00 -0.37 0.00 0.00 57.07 55.78 1ipk s TYR 226 Cb 0.09 -1.30 0.03 0.00 -0.40 0.00 0.00 41.96 40.38 1ipk s TYR 226 CO 0.88 -0.54 0.06 -1.54 -1.57 0.00 0.00 175.55 172.84 1ipk s SER 227 N 1.62 1.14 0.07 2.29 1.04 -1.26 0.81 113.70 119.41 1ipk s SER 227 Ca 0.04 0.08 -0.07 0.00 0.48 0.00 0.00 55.95 56.48 1ipk s SER 227 Cb -0.13 -0.13 -0.01 0.00 0.10 0.00 0.00 66.02 65.86 1ipk s SER 227 CO -0.08 -0.25 0.15 0.21 0.98 0.00 0.00 173.24 174.25 1ipk s ASN 228 N 2.17 0.16 0.40 7.02 3.84 -0.37 -5.02 114.94 123.15 1ipk s ASN 228 Ca 0.05 -0.64 0.14 0.00 0.21 0.00 0.00 52.86 52.62 1ipk s ASN 228 Cb -0.12 0.30 0.49 0.00 -0.55 0.00 0.00 41.25 41.38 1ipk s ASN 228 CO -0.03 -0.66 0.81 -3.20 -2.79 0.00 0.00 177.10 171.22 1ipk n ASN 229 N 0.16 0.00 -0.34 -4.21 4.05 -1.26 -0.24 115.26 113.41 1ipk n ASN 229 Ca -0.16 0.47 0.04 0.00 0.45 0.00 0.00 54.58 55.37 1ipk n ASN 229 Cb 0.61 -0.14 0.06 0.00 1.23 0.00 0.00 39.78 41.54 1ipk n ASN 229 CO 0.00 0.00 0.00 0.49 -3.05 0.00 0.00 177.26 174.70 1ipk n PHE 230 N -2.43 0.11 -3.57 1.20 3.72 -1.26 -4.97 117.46 110.25 1ipk n PHE 230 Ca 0.13 -0.17 0.03 0.00 -0.05 0.00 0.00 57.45 57.39 1ipk n PHE 230 Cb 0.94 -0.01 -0.00 0.00 -0.94 0.00 0.00 39.48 39.47 1ipk n PHE 230 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1ipk s GLY 231 N -0.75 -0.47 -0.03 1.37 0.00 0.67 -1.98 107.32 106.11 1ipk s GLY 231 Ca 0.11 0.95 -0.02 0.00 0.00 0.00 0.00 44.72 45.76 1ipk s GLY 231 CO 0.10 0.19 0.08 0.54 0.00 0.00 0.00 173.10 174.00 1ipk s LYS 232 N -2.11 0.06 -0.25 2.90 1.02 0.11 -1.23 119.74 120.24 1ipk s LYS 232 Ca 0.15 0.18 0.02 0.00 0.02 0.00 0.00 55.97 56.34 1ipk s LYS 232 Cb 0.07 -0.07 0.06 0.00 -0.52 0.00 0.00 37.83 37.37 1ipk s LYS 232 CO -0.06 -0.08 -0.09 0.12 -0.92 0.00 0.00 175.35 174.33 1ipk s PHE 233 N 0.49 3.00 -0.19 3.18 2.19 0.24 -0.67 117.98 126.23 1ipk s PHE 233 Ca -0.04 -2.17 -0.08 0.00 0.33 0.00 0.00 56.93 54.98 1ipk s PHE 233 Cb -0.05 -1.84 -0.04 0.00 -1.31 0.00 0.00 43.02 39.77 1ipk s PHE 233 CO -0.02 -0.85 0.08 -0.06 1.83 0.00 0.00 175.22 176.20 1ipk s PHE 234 N 1.19 3.27 -0.05 10.12 0.40 -0.04 0.84 117.98 133.72 1ipk s PHE 234 Ca -0.07 0.11 -0.02 0.00 -0.60 0.00 0.00 56.93 56.34 1ipk s PHE 234 Cb -0.20 -2.10 0.03 0.00 0.51 0.00 0.00 43.02 41.26 1ipk s PHE 234 CO -0.06 0.16 0.10 -2.00 0.70 0.00 0.00 175.22 174.13 1ipk s GLU 235 N 0.42 0.07 -0.25 0.44 2.12 -1.26 -0.05 118.70 120.20 1ipk s GLU 235 Ca 0.04 0.25 0.02 0.00 0.36 0.00 0.00 54.97 55.64 1ipk s GLU 235 Cb -0.12 -0.11 0.06 0.00 0.26 0.00 0.00 34.13 34.22 1ipk s GLU 235 CO 0.00 -0.11 -0.07 -1.50 -0.54 0.00 0.00 175.26 173.04 1ipk s ILE 236 N 0.76 1.82 0.32 -3.70 2.07 0.20 -4.89 121.20 117.78 1ipk s ILE 236 Ca -0.06 -1.45 0.00 0.00 -1.41 0.00 0.00 60.65 57.73 1ipk s ILE 236 Cb -0.08 -2.04 -0.03 0.00 0.13 0.00 0.00 42.46 40.44 1ipk s ILE 236 CO -0.03 -0.11 0.52 0.42 -1.91 0.00 0.00 174.94 173.83 1ipk s THR 237 N 1.25 5.12 0.45 4.00 -4.23 -1.26 -1.37 115.64 119.60 1ipk s THR 237 Ca -0.06 -0.46 0.22 0.00 -1.18 0.00 0.00 61.69 60.21 1ipk s THR 237 Cb -0.19 -3.84 0.42 0.00 1.34 0.00 0.00 72.50 70.22 1ipk s THR 237 CO -0.06 -0.50 1.84 -0.65 -0.54 0.00 0.00 174.62 174.71 1ipk h PRO 238 N 0.94 0.27 0.00 3.99 0.11 -1.82 0.87 132.00 136.36 1ipk h PRO 238 Ca -0.50 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1ipk h PRO 238 Cb 1.22 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1ipk h PRO 238 CO 0.62 0.18 0.00 -0.85 -0.21 0.00 0.00 178.00 177.74 1ipk n GLU 239 N -4.46 0.51 -0.04 1.05 0.00 -1.26 -3.04 120.64 113.40 1ipk n GLU 239 Ca 0.21 0.00 -0.04 0.00 0.00 0.00 0.00 57.16 57.33 1ipk n GLU 239 Cb 0.85 -1.50 -0.05 0.00 0.00 0.00 0.00 31.44 30.74 1ipk n GLU 239 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.13 178.30 1ipk n LYS 240 N -1.00 1.95 -3.87 3.44 4.81 0.29 -5.02 118.16 118.76 1ipk n LYS 240 Ca 0.12 0.02 -0.22 0.00 -0.87 0.00 0.00 58.31 57.36 1ipk n LYS 240 Cb 0.06 -1.17 -0.17 0.00 0.02 0.00 0.00 35.03 33.76 1ipk n LYS 240 CO 0.00 0.00 0.00 1.21 1.17 0.00 0.00 177.40 179.78 1ipk s ASN 241 N -4.18 1.41 0.22 3.14 3.84 -1.17 -4.09 114.94 114.11 1ipk s ASN 241 Ca -0.06 -0.10 -0.11 0.00 0.21 0.00 0.00 52.86 52.79 1ipk s ASN 241 Cb 0.02 -0.45 0.30 0.00 -0.55 0.00 0.00 41.25 40.58 1ipk s ASN 241 CO 0.25 -0.15 1.63 1.55 -2.79 0.00 0.00 177.10 177.58 1ipk h PRO 242 N 8.01 0.04 -0.66 0.43 0.13 -1.78 -1.30 132.00 136.86 1ipk h PRO 242 Ca -0.25 -0.00 0.14 0.00 -0.87 0.00 0.00 66.00 65.02 1ipk h PRO 242 Cb 1.13 -0.01 -0.11 0.00 0.13 0.00 0.00 31.00 32.14 1ipk h PRO 242 CO 0.32 0.02 0.03 1.96 -0.23 0.00 0.00 178.00 180.11 1ipk h GLN 243 N 0.04 0.14 0.00 0.86 4.20 -1.85 0.71 115.11 119.21 1ipk h GLN 243 Ca 0.34 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 59.04 1ipk h GLN 243 Cb 0.54 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.29 1ipk h GLN 243 CO -0.65 0.09 0.00 -0.07 -0.67 0.00 0.00 178.83 177.53 1ipk h LEU 244 N 0.14 0.00 -0.04 1.46 4.07 -1.70 -3.21 115.31 116.03 1ipk h LEU 244 Ca 0.36 0.00 -0.13 0.00 0.08 0.00 0.00 57.88 58.18 1ipk h LEU 244 Cb 0.59 0.00 0.01 0.00 1.08 0.00 0.00 40.66 42.34 1ipk h LEU 244 CO -0.55 0.00 -0.49 -0.09 -1.08 0.00 0.00 178.44 176.23 1ipk h ARG 245 N 0.00 0.40 0.00 1.13 2.43 0.15 0.14 114.38 118.62 1ipk h ARG 245 Ca 0.00 -0.38 0.00 0.00 -0.81 0.00 0.00 59.98 58.79 1ipk h ARG 245 Cb 0.70 0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.34 1ipk h ARG 245 CO 0.00 1.03 0.00 -0.25 -1.51 0.00 0.00 179.97 179.24 1ipk n ASP 246 N -4.29 0.46 -0.02 -3.80 10.43 -0.19 -2.22 116.55 116.91 1ipk n ASP 246 Ca -0.09 0.62 0.06 0.00 2.57 0.00 0.00 54.79 57.96 1ipk n ASP 246 Cb 0.60 -0.72 -0.14 0.00 1.84 0.00 0.00 41.12 42.71 1ipk n ASP 246 CO 0.00 0.00 0.00 0.18 -1.07 0.00 0.00 177.20 176.31 1ipk n LEU 247 N -2.02 0.00 -3.21 0.64 4.77 -1.18 -5.01 117.00 110.99 1ipk n LEU 247 Ca 0.02 0.00 -0.17 0.00 -0.03 0.00 0.00 56.01 55.83 1ipk n LEU 247 Cb 0.19 0.06 0.08 0.00 -2.33 0.00 0.00 43.42 41.41 1ipk n LEU 247 CO 0.16 0.06 0.14 -0.67 -1.33 0.00 0.00 177.39 175.75 1ipk n ASP 248 N -2.18 -3.20 -4.17 -1.43 4.64 -0.00 -4.78 116.55 105.42 1ipk n ASP 248 Ca -0.07 -0.53 -0.19 0.00 -1.38 0.00 0.00 54.79 52.62 1ipk n ASP 248 Cb 0.54 -4.63 -0.12 0.00 -1.04 0.00 0.00 41.12 35.87 1ipk n ASP 248 CO 0.00 0.00 0.00 -0.63 -0.82 0.00 0.00 177.20 175.75 1ipk s ILE 249 N -3.31 1.13 -0.07 5.18 1.01 -0.98 -1.36 121.20 122.80 1ipk s ILE 249 Ca 0.16 -1.23 0.03 0.00 0.00 0.00 0.00 60.65 59.62 1ipk s ILE 249 Cb -0.07 -1.07 -0.02 0.00 0.01 0.00 0.00 42.46 41.31 1ipk s ILE 249 CO 0.65 -0.15 -0.17 0.72 0.00 0.00 0.00 174.94 175.99 1ipk s PHE 250 N -1.15 2.65 -0.07 3.97 -0.71 0.13 -3.85 117.98 118.96 1ipk s PHE 250 Ca -0.01 -0.41 0.00 0.00 -1.04 0.00 0.00 56.93 55.48 1ipk s PHE 250 Cb -0.09 -1.67 -0.03 0.00 -1.21 0.00 0.00 43.02 40.02 1ipk s PHE 250 CO 0.02 -0.00 -0.05 -0.51 -1.34 0.00 0.00 175.22 173.33 1ipk s LEU 251 N -0.35 3.26 0.01 -1.99 1.43 -0.47 0.17 118.68 120.74 1ipk s LEU 251 Ca 0.03 0.01 -0.17 0.00 -1.03 0.00 0.00 54.13 52.97 1ipk s LEU 251 Cb -0.12 -1.72 0.03 0.00 0.03 0.00 0.00 46.19 44.40 1ipk s LEU 251 CO 0.02 0.36 0.37 -0.94 0.23 0.00 0.00 176.35 176.40 1ipk s SER 252 N -0.84 -0.25 -0.08 2.29 1.04 -0.57 0.62 113.70 115.91 1ipk s SER 252 Ca 0.13 0.08 0.00 0.00 0.48 0.00 0.00 55.95 56.64 1ipk s SER 252 Cb -0.11 0.37 0.02 0.00 0.10 0.00 0.00 66.02 66.40 1ipk s SER 252 CO 0.02 -0.54 -0.07 -0.55 0.98 0.00 0.00 173.24 173.08 1ipk s SER 253 N -1.60 1.69 0.07 7.02 0.15 0.93 -0.55 113.70 121.42 1ipk s SER 253 Ca -0.10 -0.22 0.08 0.00 0.70 0.00 0.00 55.95 56.41 1ipk s SER 253 Cb -0.03 -0.68 -0.03 0.00 -1.71 0.00 0.00 66.02 63.57 1ipk s SER 253 CO 0.02 -0.08 -0.22 0.68 1.20 0.00 0.00 173.24 174.85 1ipk s VAL 254 N 1.32 1.75 -0.13 4.45 -7.23 -1.13 -0.86 120.40 118.55 1ipk s VAL 254 Ca -0.03 -1.35 0.02 0.00 -1.81 0.00 0.00 61.98 58.81 1ipk s VAL 254 Cb -0.14 -1.54 0.01 0.00 0.56 0.00 0.00 36.38 35.27 1ipk s VAL 254 CO -0.03 0.13 -0.21 -1.81 -0.31 0.00 0.00 175.10 172.86 1ipk s ASP 255 N -1.46 3.19 -0.18 4.85 -0.00 0.15 -3.01 116.67 120.22 1ipk s ASP 255 Ca 0.08 -0.58 -0.01 0.00 -0.00 0.00 0.00 52.55 52.04 1ipk s ASP 255 Cb -0.09 -1.46 0.05 0.00 -0.00 0.00 0.00 42.92 41.42 1ipk s ASP 255 CO 0.03 0.10 -0.04 -0.63 -0.00 0.00 0.00 175.17 174.63 1ipk s ILE 256 N 0.72 1.04 0.86 0.77 1.01 -0.99 0.08 121.20 124.69 1ipk s ILE 256 Ca -0.09 -0.66 -0.13 0.00 0.00 0.00 0.00 60.65 59.77 1ipk s ILE 256 Cb -0.16 -1.28 0.08 0.00 0.01 0.00 0.00 42.46 41.11 1ipk s ILE 256 CO 0.00 0.05 0.94 0.59 0.00 0.00 0.00 174.94 176.52 1ipk n ASN 257 N 4.89 -0.10 -4.73 3.58 5.03 -0.84 -2.64 115.26 120.45 1ipk n ASN 257 Ca -0.11 0.48 -0.42 0.00 0.87 0.00 0.00 54.58 55.40 1ipk n ASN 257 Cb 0.47 -1.40 -0.03 0.00 -1.02 0.00 0.00 39.78 37.80 1ipk n ASN 257 CO 0.00 0.00 0.00 -0.70 -1.83 0.00 0.00 177.26 174.73 1ipk s GLU 258 N -4.00 4.19 0.00 3.52 2.12 -1.26 -1.82 118.70 121.45 1ipk s GLU 258 Ca 0.67 2.43 0.00 0.00 0.36 0.00 0.00 54.97 58.43 1ipk s GLU 258 Cb -0.26 -3.10 0.00 0.00 0.26 0.00 0.00 34.13 31.02 1ipk s GLU 258 CO 0.57 -0.59 0.00 0.41 -0.54 0.00 0.00 175.26 175.11 1ipk n GLY 259 N 3.09 2.07 3.97 -1.50 0.00 -0.85 -4.94 105.19 107.02 1ipk n GLY 259 Ca 0.11 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.92 1ipk n GLY 259 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ipk s ALA 260 N -2.45 3.92 -0.03 4.61 0.00 -0.75 0.19 121.76 127.25 1ipk s ALA 260 Ca 0.00 -1.18 -0.05 0.00 0.00 0.00 0.00 51.96 50.73 1ipk s ALA 260 Cb 0.00 -1.90 0.01 0.00 0.00 0.00 0.00 23.12 21.22 1ipk s ALA 260 CO 0.00 -0.05 0.11 -1.17 0.00 0.00 0.00 175.76 174.65 1ipk s LEU 261 N -4.25 1.61 -0.87 0.00 0.20 -0.27 -1.65 118.68 113.45 1ipk s LEU 261 Ca 0.42 0.05 -0.21 0.00 0.69 0.00 0.00 54.13 55.08 1ipk s LEU 261 Cb -0.10 0.46 0.10 0.00 -0.43 0.00 0.00 46.19 46.22 1ipk s LEU 261 CO 0.33 -0.16 1.15 -0.22 -0.29 0.00 0.00 176.35 177.17 1ipk s LEU 262 N -0.47 4.50 0.02 -0.68 2.96 -0.02 -2.54 118.68 122.45 1ipk s LEU 262 Ca -0.06 -1.58 -0.04 0.00 -0.22 0.00 0.00 54.13 52.23 1ipk s LEU 262 Cb -0.04 -2.44 -0.02 0.00 0.50 0.00 0.00 46.19 44.19 1ipk s LEU 262 CO 0.00 -1.28 0.09 0.18 -1.32 0.00 0.00 176.35 174.02 1ipk n LEU 263 N 7.42 -0.12 -4.50 -0.68 4.77 -0.44 -3.61 117.00 119.85 1ipk n LEU 263 Ca 0.17 0.15 -0.54 0.00 -0.03 0.00 0.00 56.01 55.77 1ipk n LEU 263 Cb 0.48 -0.13 -0.08 0.00 -2.33 0.00 0.00 43.42 41.37 1ipk n LEU 263 CO 0.58 -0.36 1.66 -2.65 -1.33 0.00 0.00 177.39 175.29 1ipk n PRO 264 N 0.15 0.99 -4.18 3.23 -0.02 -1.26 -4.78 135.00 129.13 1ipk n PRO 264 Ca 0.03 0.30 -0.12 0.00 -2.02 0.00 0.00 63.50 61.69 1ipk n PRO 264 Cb 0.03 -2.25 -0.10 0.00 -0.02 0.00 0.00 33.50 31.16 1ipk n PRO 264 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 1ipk s HIS 265 N 6.06 1.09 -0.01 6.00 -3.43 -0.48 -1.27 115.29 123.25 1ipk s HIS 265 Ca 1.08 -1.33 -0.06 0.00 -0.80 0.00 0.00 55.06 53.94 1ipk s HIS 265 Cb -0.99 -0.52 0.00 0.00 -1.43 0.00 0.00 32.58 29.65 1ipk s HIS 265 CO 0.56 -0.64 0.13 -0.59 -2.00 0.00 0.00 174.74 172.20 1ipk s PHE 266 N -4.14 -0.01 0.32 0.38 -0.71 0.12 -0.21 117.98 113.73 1ipk s PHE 266 Ca 0.36 0.01 -0.25 0.00 -1.04 0.00 0.00 56.93 56.01 1ipk s PHE 266 Cb 0.07 -0.02 -0.10 0.00 -1.21 0.00 0.00 43.02 41.75 1ipk s PHE 266 CO 0.11 -0.22 0.92 -0.80 -1.34 0.00 0.00 175.22 173.89 1ipk s ASN 267 N -0.95 7.29 -0.02 1.98 0.01 -1.26 -0.85 114.94 121.13 1ipk s ASN 267 Ca -0.10 1.79 -0.24 0.00 -0.71 0.00 0.00 52.86 53.60 1ipk s ASN 267 Cb -0.06 -2.56 -0.17 0.00 0.41 0.00 0.00 41.25 38.87 1ipk s ASN 267 CO 0.01 -0.07 1.10 -1.28 -1.51 0.00 0.00 177.10 175.35 1ipk h SER 268 N 3.13 -0.21 0.00 -1.22 0.87 -0.07 -1.16 113.55 114.88 1ipk h SER 268 Ca -0.47 -0.31 0.00 0.00 -1.23 0.00 0.00 61.79 59.78 1ipk h SER 268 Cb 1.19 0.05 0.00 0.00 -0.44 0.00 0.00 62.40 63.20 1ipk h SER 268 CO 0.65 0.25 0.00 2.29 -0.53 0.00 0.00 176.83 179.49 1ipk n LYS 269 N -4.99 0.00 -3.18 2.24 2.85 -1.26 -4.29 118.16 109.53 1ipk n LYS 269 Ca -0.09 -0.03 -0.39 0.00 -1.05 0.00 0.00 58.31 56.75 1ipk n LYS 269 Cb 0.26 -0.39 -0.06 0.00 -0.65 0.00 0.00 35.03 34.19 1ipk n LYS 269 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1ipk s ALA 270 N 0.00 3.48 -0.17 0.58 0.00 -1.26 -4.86 121.76 119.54 1ipk s ALA 270 Ca 0.00 -0.18 -0.25 0.00 0.00 0.00 0.00 51.96 51.53 1ipk s ALA 270 Cb 0.00 -2.85 -0.02 0.00 0.00 0.00 0.00 23.12 20.25 1ipk s ALA 270 CO 0.00 -0.29 0.81 0.42 0.00 0.00 0.00 175.76 176.70 1ipk s ILE 271 N 1.27 4.90 -0.19 0.00 1.01 -0.53 -4.20 121.20 123.46 1ipk s ILE 271 Ca 0.29 1.59 -0.06 0.00 0.00 0.00 0.00 60.65 62.47 1ipk s ILE 271 Cb -0.16 -4.12 -0.03 0.00 0.01 0.00 0.00 42.46 38.16 1ipk s ILE 271 CO 0.12 0.04 0.02 -0.69 0.00 0.00 0.00 174.94 174.43 1ipk s VAL 272 N 2.07 4.29 -0.35 2.92 1.01 -1.09 0.74 120.40 129.98 1ipk s VAL 272 Ca 0.37 -0.21 -0.09 0.00 0.00 0.00 0.00 61.98 62.06 1ipk s VAL 272 Cb -0.17 -2.93 0.03 0.00 0.00 0.00 0.00 36.38 33.32 1ipk s VAL 272 CO 0.12 0.45 0.16 -0.63 0.00 0.00 0.00 175.10 175.20 1ipk s ILE 273 N 0.66 4.22 -0.14 2.22 1.01 0.75 -1.79 121.20 128.12 1ipk s ILE 273 Ca 0.01 -0.94 -0.01 0.00 0.00 0.00 0.00 60.65 59.71 1ipk s ILE 273 Cb -0.14 -3.35 -0.01 0.00 0.01 0.00 0.00 42.46 38.97 1ipk s ILE 273 CO 0.02 -0.18 -0.12 -1.48 0.00 0.00 0.00 174.94 173.18 1ipk s LEU 274 N 1.49 2.75 -0.01 2.97 0.05 -0.70 -0.44 118.68 124.80 1ipk s LEU 274 Ca 0.01 -0.33 0.06 0.00 0.05 0.00 0.00 54.13 53.91 1ipk s LEU 274 Cb -0.19 -1.63 -0.03 0.00 -2.05 0.00 0.00 46.19 42.29 1ipk s LEU 274 CO 0.05 0.14 -0.18 0.68 -0.55 0.00 0.00 176.35 176.49 1ipk s VAL 275 N 0.53 2.78 -0.27 1.48 -7.23 -0.44 -0.32 120.40 116.92 1ipk s VAL 275 Ca -0.08 -0.96 -0.22 0.00 -1.81 0.00 0.00 61.98 58.91 1ipk s VAL 275 Cb -0.15 -2.10 -0.01 0.00 0.56 0.00 0.00 36.38 34.68 1ipk s VAL 275 CO 0.04 0.50 0.72 -0.63 -0.31 0.00 0.00 175.10 175.42 1ipk s ILE 276 N -0.78 4.89 -0.13 -0.62 -1.09 -0.25 -0.47 121.20 122.76 1ipk s ILE 276 Ca 0.12 1.21 0.19 0.00 -2.23 0.00 0.00 60.65 59.94 1ipk s ILE 276 Cb -0.10 -4.05 -0.20 0.00 -1.58 0.00 0.00 42.46 36.53 1ipk s ILE 276 CO 0.02 -0.10 0.58 -3.20 -1.23 0.00 0.00 174.94 171.01 1ipk n ASN 277 N 5.94 0.44 -3.29 3.58 4.05 -0.01 -0.94 115.26 125.03 1ipk n ASN 277 Ca 0.02 0.19 0.03 0.00 0.45 0.00 0.00 54.58 55.27 1ipk n ASN 277 Cb 0.48 0.86 -0.02 0.00 1.23 0.00 0.00 39.78 42.34 1ipk n ASN 277 CO 0.00 0.00 0.00 -0.70 -3.05 0.00 0.00 177.26 173.51 1ipk s GLU 278 N -3.03 0.44 0.00 1.20 2.12 -0.97 -4.83 118.70 113.63 1ipk s GLU 278 Ca -0.06 0.89 0.00 0.00 0.36 0.00 0.00 54.97 56.17 1ipk s GLU 278 Cb 0.10 0.51 0.00 0.00 0.26 0.00 0.00 34.13 35.00 1ipk s GLU 278 CO 0.84 -0.35 0.00 0.41 -0.54 0.00 0.00 175.26 175.62 1ipk n GLY 279 N 5.36 0.61 2.97 -1.50 0.00 -1.26 -1.24 105.19 110.14 1ipk n GLY 279 Ca -0.06 -2.25 -0.26 0.00 0.00 0.00 0.00 46.02 43.46 1ipk n GLY 279 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ipk s ASP 280 N -2.11 1.96 0.27 1.61 1.11 -1.26 -2.19 116.67 116.06 1ipk s ASP 280 Ca 0.00 -0.30 0.05 0.00 0.18 0.00 0.00 52.55 52.48 1ipk s ASP 280 Cb 0.00 -0.84 -0.06 0.00 1.07 0.00 0.00 42.92 43.10 1ipk s ASP 280 CO 0.00 -0.04 -0.03 0.00 1.18 0.00 0.00 175.17 176.28 1ipk s ALA 281 N 1.15 2.16 -0.23 5.23 0.00 0.34 -1.93 121.76 128.47 1ipk s ALA 281 Ca -0.05 -1.87 -0.02 0.00 0.00 0.00 0.00 51.96 50.02 1ipk s ALA 281 Cb -0.14 0.34 0.07 0.00 0.00 0.00 0.00 23.12 23.38 1ipk s ALA 281 CO -0.02 -0.16 0.04 1.21 0.00 0.00 0.00 175.76 176.83 1ipk s ASN 282 N -3.40 3.32 0.05 0.00 2.47 -0.18 -1.01 114.94 116.20 1ipk s ASN 282 Ca 0.30 -1.07 0.09 0.00 0.42 0.00 0.00 52.86 52.59 1ipk s ASN 282 Cb 0.05 -0.74 -0.03 0.00 -1.45 0.00 0.00 41.25 39.08 1ipk s ASN 282 CO 0.11 -0.32 -0.26 -0.51 -3.72 0.00 0.00 177.10 172.40 1ipk s ILE 283 N 1.74 2.10 -0.09 -5.21 2.07 -0.68 -1.45 121.20 119.69 1ipk s ILE 283 Ca 0.01 -1.40 0.04 0.00 -1.41 0.00 0.00 60.65 57.88 1ipk s ILE 283 Cb -0.17 -1.80 -0.01 0.00 0.13 0.00 0.00 42.46 40.60 1ipk s ILE 283 CO -0.12 0.33 -0.20 -1.61 -1.91 0.00 0.00 174.94 171.42 1ipk s GLU 284 N -1.31 2.90 -0.04 3.50 2.02 -1.02 -1.50 118.70 123.26 1ipk s GLU 284 Ca 0.11 -0.81 0.06 0.00 0.02 0.00 0.00 54.97 54.35 1ipk s GLU 284 Cb -0.10 -2.36 -0.02 0.00 0.10 0.00 0.00 34.13 31.75 1ipk s GLU 284 CO 0.02 0.32 -0.21 -1.17 0.02 0.00 0.00 175.26 174.24 1ipk s LEU 285 N 0.03 2.34 -0.10 1.80 0.20 0.47 -2.46 118.68 120.96 1ipk s LEU 285 Ca -0.07 -0.36 0.04 0.00 0.69 0.00 0.00 54.13 54.42 1ipk s LEU 285 Cb -0.15 -1.44 0.00 0.00 -0.43 0.00 0.00 46.19 44.18 1ipk s LEU 285 CO 0.05 0.32 -0.23 -0.69 -0.29 0.00 0.00 176.35 175.51 1ipk s VAL 286 N -0.60 2.00 0.21 1.68 1.01 -0.86 -0.06 120.40 123.78 1ipk s VAL 286 Ca 0.09 -0.98 -0.13 0.00 0.00 0.00 0.00 61.98 60.96 1ipk s VAL 286 Cb -0.11 -1.74 0.00 0.00 0.00 0.00 0.00 36.38 34.54 1ipk s VAL 286 CO 0.00 0.55 0.44 -0.83 0.00 0.00 0.00 175.10 175.26 1ipk s GLY 287 N 0.41 0.39 0.57 4.51 0.00 -0.93 -3.85 107.32 108.42 1ipk s GLY 287 Ca -0.17 -0.74 -0.12 0.00 0.00 0.00 0.00 44.72 43.69 1ipk s GLY 287 CO 0.07 -0.60 0.98 -0.42 0.00 0.00 0.00 173.10 173.13 1ipk s ILE 288 N -3.97 4.69 0.00 0.90 -1.09 -1.26 0.34 121.20 120.81 1ipk s ILE 288 Ca 0.18 0.87 0.00 0.00 -2.23 0.00 0.00 60.65 59.47 1ipk s ILE 288 Cb 0.00 -3.83 0.00 0.00 -1.58 0.00 0.00 42.46 37.06 1ipk s ILE 288 CO 0.04 -0.97 0.00 1.17 -1.23 0.00 0.00 174.94 173.95 1ipk n LYS 289 N -2.34 0.00 0.00 2.79 3.00 -0.21 -4.68 118.16 116.72 1ipk n LYS 289 Ca 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.36 1ipk n LYS 289 Cb 0.54 -0.10 0.00 0.00 0.00 0.00 0.00 35.03 35.47 1ipk n LYS 289 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.40 177.05 1ipk n PRO 301 N -1.69 0.00 -3.17 1.64 -0.04 -1.26 -4.98 135.00 125.49 1ipk n PRO 301 Ca 0.00 0.70 -0.23 0.00 -0.04 0.00 0.00 63.50 63.93 1ipk n PRO 301 Cb 0.00 -1.38 -0.05 0.00 -0.04 0.00 0.00 33.50 32.03 1ipk n PRO 301 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1ipk n LEU 302 N -2.21 1.98 -4.55 1.53 4.77 -1.26 -5.07 117.00 112.18 1ipk n LEU 302 Ca 0.00 -5.15 -0.37 0.00 -0.03 0.00 0.00 56.01 50.46 1ipk n LEU 302 Cb 0.00 0.18 -0.11 0.00 -2.33 0.00 0.00 43.42 41.16 1ipk n LEU 302 CO 0.00 2.21 -0.22 -1.61 -1.33 0.00 0.00 177.39 176.45 1ipk s GLU 303 N -2.36 3.87 -0.47 3.23 2.02 -1.26 -5.04 118.70 118.69 1ipk s GLU 303 Ca 0.41 -0.37 -0.27 0.00 0.02 0.00 0.00 54.97 54.76 1ipk s GLU 303 Cb 0.26 -3.49 -0.04 0.00 0.10 0.00 0.00 34.13 30.96 1ipk s GLU 303 CO -0.09 -0.11 2.06 0.08 0.02 0.00 0.00 175.26 177.22 1ipk s VAL 304 N 1.49 3.23 -0.11 2.63 1.01 -1.26 -1.04 120.40 126.34 1ipk s VAL 304 Ca 0.06 0.18 -0.19 0.00 0.00 0.00 0.00 61.98 62.03 1ipk s VAL 304 Cb -0.15 -3.49 -0.04 0.00 0.00 0.00 0.00 36.38 32.70 1ipk s VAL 304 CO 0.07 -0.43 0.52 -1.58 0.00 0.00 0.00 175.10 173.68 1ipk s GLN 305 N 7.07 4.35 -0.28 2.72 2.00 0.15 -4.96 119.66 130.72 1ipk s GLN 305 Ca 0.83 0.54 -0.12 0.00 -2.00 0.00 0.00 55.36 54.61 1ipk s GLN 305 Cb -0.18 -3.44 -0.05 0.00 0.80 0.00 0.00 33.01 30.14 1ipk s GLN 305 CO 0.27 0.12 0.22 -0.98 -0.50 0.00 0.00 175.29 174.42 1ipk s ARG 306 N 0.71 3.94 -0.21 1.67 3.03 -1.26 -2.19 118.95 124.64 1ipk s ARG 306 Ca 0.28 -0.29 -0.07 0.00 2.03 0.00 0.00 55.73 57.68 1ipk s ARG 306 Cb -0.16 -3.67 -0.04 0.00 -1.03 0.00 0.00 34.95 30.06 1ipk s ARG 306 CO 0.12 -0.21 0.06 0.71 -1.13 0.00 0.00 175.30 174.85 1ipk s TYR 307 N 1.80 3.16 0.08 5.89 2.02 0.91 -3.35 117.35 127.86 1ipk s TYR 307 Ca 0.08 -0.15 0.02 0.00 -0.37 0.00 0.00 57.07 56.65 1ipk s TYR 307 Cb -0.16 -2.14 -0.04 0.00 -0.40 0.00 0.00 41.96 39.23 1ipk s TYR 307 CO 0.11 -0.07 -0.07 0.50 -1.57 0.00 0.00 175.55 174.45 1ipk s ARG 308 N 0.90 0.72 0.04 -0.62 3.52 -0.96 0.18 118.95 122.72 1ipk s ARG 308 Ca 0.03 -1.11 -0.27 0.00 -0.13 0.00 0.00 55.73 54.25 1ipk s ARG 308 Cb -0.14 -0.24 0.09 0.00 -1.56 0.00 0.00 34.95 33.10 1ipk s ARG 308 CO 0.03 0.01 0.79 0.00 -0.81 0.00 0.00 175.30 175.31 1ipk s ALA 309 N -2.76 -1.75 -0.41 6.12 0.00 -0.56 -4.05 121.76 118.34 1ipk s ALA 309 Ca 0.03 0.89 -0.08 0.00 0.00 0.00 0.00 51.96 52.81 1ipk s ALA 309 Cb -0.01 0.48 0.08 0.00 0.00 0.00 0.00 23.12 23.67 1ipk s ALA 309 CO -0.03 -0.67 0.23 -1.21 0.00 0.00 0.00 175.76 174.08 1ipk s GLU 310 N -3.10 2.55 -0.14 0.00 2.02 -1.26 -1.69 118.70 117.09 1ipk s GLU 310 Ca 0.02 -1.46 -0.06 0.00 0.02 0.00 0.00 54.97 53.50 1ipk s GLU 310 Cb -0.01 -3.72 -0.04 0.00 0.10 0.00 0.00 34.13 30.46 1ipk s GLU 310 CO -0.09 -0.93 0.08 -0.51 0.02 0.00 0.00 175.26 173.84 1ipk s LEU 311 N 1.39 3.98 0.00 1.80 1.43 -0.18 -4.97 118.68 122.14 1ipk s LEU 311 Ca 0.03 0.25 0.02 0.00 -1.03 0.00 0.00 54.13 53.40 1ipk s LEU 311 Cb -0.23 -1.97 -0.01 0.00 0.03 0.00 0.00 46.19 44.02 1ipk s LEU 311 CO 0.02 0.31 0.08 -1.54 0.23 0.00 0.00 176.35 175.45 1ipk n SER 312 N 2.60 1.03 -4.39 2.29 3.41 -1.26 0.13 113.62 117.43 1ipk n SER 312 Ca -0.18 -2.20 -0.47 0.00 -0.26 0.00 0.00 58.87 55.76 1ipk n SER 312 Cb 0.54 0.59 -0.03 0.00 -0.26 0.00 0.00 64.21 65.04 1ipk n SER 312 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 1ipk n GLU 313 N -0.50 0.02 -1.37 4.33 2.13 -0.93 -1.83 120.64 122.50 1ipk n GLU 313 Ca -0.03 0.01 -0.13 0.00 0.66 0.00 0.00 57.16 57.67 1ipk n GLU 313 Cb 0.34 -1.02 -0.05 0.00 0.27 0.00 0.00 31.44 30.98 1ipk n GLU 313 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1ipk n ASP 314 N 2.02 -4.75 -4.73 4.31 10.43 -0.11 -4.85 116.55 118.86 1ipk n ASP 314 Ca 0.17 0.31 -0.36 0.00 2.57 0.00 0.00 54.79 57.48 1ipk n ASP 314 Cb 0.27 -3.36 -0.07 0.00 1.84 0.00 0.00 41.12 39.80 1ipk n ASP 314 CO 0.00 0.00 0.00 -1.81 -1.07 0.00 0.00 177.20 174.32 1ipk s ASP 315 N -2.75 6.43 -0.17 -2.24 -0.00 -0.76 -4.09 116.67 113.09 1ipk s ASP 315 Ca 0.00 0.50 -0.08 0.00 -0.00 0.00 0.00 52.55 52.97 1ipk s ASP 315 Cb 0.00 -2.18 -0.04 0.00 -0.00 0.00 0.00 42.92 40.70 1ipk s ASP 315 CO 0.00 0.12 0.11 -0.69 -0.00 0.00 0.00 175.17 174.71 1ipk s VAL 316 N 0.38 5.22 -0.11 -1.27 1.01 -1.04 -1.09 120.40 123.50 1ipk s VAL 316 Ca 0.16 0.11 -0.03 0.00 0.00 0.00 0.00 61.98 62.23 1ipk s VAL 316 Cb -0.13 -3.33 0.04 0.00 0.00 0.00 0.00 36.38 32.96 1ipk s VAL 316 CO 0.04 0.51 0.06 0.12 0.00 0.00 0.00 175.10 175.82 1ipk s PHE 317 N -0.11 0.36 -0.23 5.22 2.19 0.56 0.55 117.98 126.53 1ipk s PHE 317 Ca 0.09 -0.19 -0.13 0.00 0.33 0.00 0.00 56.93 57.03 1ipk s PHE 317 Cb -0.12 -0.69 -0.04 0.00 -1.31 0.00 0.00 43.02 40.86 1ipk s PHE 317 CO 0.00 -0.39 0.29 0.08 1.83 0.00 0.00 175.22 177.03 1ipk s VAL 318 N 2.08 5.27 -0.26 3.12 1.01 -0.19 -1.72 120.40 129.70 1ipk s VAL 318 Ca 0.03 0.45 -0.03 0.00 0.00 0.00 0.00 61.98 62.43 1ipk s VAL 318 Cb -0.14 -3.62 0.03 0.00 0.00 0.00 0.00 36.38 32.64 1ipk s VAL 318 CO -0.06 0.28 -0.03 -0.51 0.00 0.00 0.00 175.10 174.78 1ipk s ILE 319 N 1.33 3.09 0.86 2.22 2.07 -0.74 -4.69 121.20 125.34 1ipk s ILE 319 Ca 0.13 -1.02 -0.14 0.00 -1.41 0.00 0.00 60.65 58.22 1ipk s ILE 319 Cb -0.14 -2.60 0.02 0.00 0.13 0.00 0.00 42.46 39.86 1ipk s ILE 319 CO 0.07 0.13 0.52 -2.65 -1.91 0.00 0.00 174.94 171.10 1ipk n PRO 320 N 4.70 -0.05 -1.70 3.50 -0.02 -1.26 -2.69 135.00 137.48 1ipk n PRO 320 Ca -0.16 0.03 -0.34 0.00 -2.02 0.00 0.00 63.50 61.02 1ipk n PRO 320 Cb 0.47 -1.90 0.06 0.00 -0.02 0.00 0.00 33.50 32.11 1ipk n PRO 320 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ipk s ALA 321 N -2.21 2.35 0.00 3.55 0.00 -1.26 -3.07 121.76 121.11 1ipk s ALA 321 Ca 0.61 0.80 0.00 0.00 0.00 0.00 0.00 51.96 53.37 1ipk s ALA 321 Cb -0.26 -3.41 0.00 0.00 0.00 0.00 0.00 23.12 19.44 1ipk s ALA 321 CO 0.63 -1.48 0.00 0.00 0.00 0.00 0.00 175.76 174.91 1ipk n ALA 322 N -2.32 0.00 -2.68 0.00 0.00 -0.44 -4.95 120.51 110.13 1ipk n ALA 322 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.14 1ipk n ALA 322 Cb 0.51 -0.34 -0.03 0.00 0.00 0.00 0.00 19.45 19.59 1ipk n ALA 322 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1ipk s TYR 323 N -1.50 3.44 0.27 0.00 1.51 -1.17 -4.78 117.35 115.12 1ipk s TYR 323 Ca 0.00 1.49 -0.29 0.00 -1.01 0.00 0.00 57.07 57.26 1ipk s TYR 323 Cb 0.00 -3.18 -0.09 0.00 -0.11 0.00 0.00 41.96 38.58 1ipk s TYR 323 CO 0.00 -0.31 1.03 -1.25 -1.11 0.00 0.00 175.55 173.91 1ipk s PRO 324 N 2.41 4.70 0.18 -1.71 0.04 -1.25 -4.48 135.00 134.89 1ipk s PRO 324 Ca 0.45 1.65 -0.09 0.00 0.04 0.00 0.00 61.00 63.05 1ipk s PRO 324 Cb -0.17 -3.18 -0.01 0.00 0.04 0.00 0.00 34.50 31.18 1ipk s PRO 324 CO 0.13 0.32 0.30 -0.59 0.04 0.00 0.00 177.00 177.20 1ipk s PHE 325 N -1.21 0.48 -0.03 0.56 -0.71 0.71 -2.04 117.98 115.74 1ipk s PHE 325 Ca 0.44 -0.83 -0.01 0.00 -1.04 0.00 0.00 56.93 55.49 1ipk s PHE 325 Cb -0.29 -0.07 0.02 0.00 -1.21 0.00 0.00 43.02 41.47 1ipk s PHE 325 CO 0.36 -0.76 0.05 0.54 -1.34 0.00 0.00 175.22 174.07 1ipk s VAL 326 N -4.00 -0.03 -0.15 -2.49 0.11 -1.03 -1.38 120.40 111.43 1ipk s VAL 326 Ca 0.21 0.11 -0.04 0.00 -2.93 0.00 0.00 61.98 59.32 1ipk s VAL 326 Cb 0.03 -0.10 -0.03 0.00 -1.53 0.00 0.00 36.38 34.75 1ipk s VAL 326 CO 0.03 0.04 -0.02 -0.69 -3.33 0.00 0.00 175.10 171.14 1ipk s VAL 327 N 0.59 4.09 -0.25 2.04 1.01 -1.24 -2.43 120.40 124.21 1ipk s VAL 327 Ca -0.05 -0.29 -0.05 0.00 0.00 0.00 0.00 61.98 61.59 1ipk s VAL 327 Cb -0.07 -2.80 -0.00 0.00 0.00 0.00 0.00 36.38 33.52 1ipk s VAL 327 CO -0.02 0.50 0.00 0.21 0.00 0.00 0.00 175.10 175.79 1ipk s ASN 328 N 0.24 4.64 -0.61 3.32 3.04 -0.53 -0.84 114.94 124.21 1ipk s ASN 328 Ca -0.01 -0.53 -0.28 0.00 0.04 0.00 0.00 52.86 52.07 1ipk s ASN 328 Cb -0.14 -1.79 0.03 0.00 -1.54 0.00 0.00 41.25 37.81 1ipk s ASN 328 CO 0.02 -0.09 1.24 0.00 -3.04 0.00 0.00 177.10 175.24 1ipk s ALA 329 N 1.48 2.92 -0.31 1.71 0.00 -0.66 -1.01 121.76 125.89 1ipk s ALA 329 Ca 0.04 -0.90 0.22 0.00 0.00 0.00 0.00 51.96 51.32 1ipk s ALA 329 Cb -0.16 -4.09 0.13 0.00 0.00 0.00 0.00 23.12 19.01 1ipk s ALA 329 CO -0.01 -2.82 1.29 1.79 0.00 0.00 0.00 175.76 176.01 1ipk h THR 330 N 6.17 0.09 -2.56 0.00 1.35 -1.69 -2.26 112.91 114.00 1ipk h THR 330 Ca -0.26 -1.15 -0.05 0.00 -0.55 0.00 0.00 66.41 64.40 1ipk h THR 330 Cb 1.06 1.80 -0.16 0.00 -1.73 0.00 0.00 68.15 69.12 1ipk h THR 330 CO 1.20 0.05 0.13 -0.94 -0.25 0.00 0.00 175.52 175.71 1ipk s SER 331 N -5.81 -0.54 -0.53 5.36 1.04 -1.11 -4.70 113.70 107.40 1ipk s SER 331 Ca 0.03 0.32 -0.43 0.00 0.48 0.00 0.00 55.95 56.35 1ipk s SER 331 Cb 0.07 0.53 -0.19 0.00 0.10 0.00 0.00 66.02 66.54 1ipk s SER 331 CO 0.74 -0.74 2.18 0.59 0.98 0.00 0.00 173.24 176.99 1ipk n ASN 332 N 0.41 0.77 -4.52 7.02 4.13 -1.26 -4.30 115.26 117.50 1ipk n ASN 332 Ca -0.18 0.64 -0.26 0.00 1.68 0.00 0.00 54.58 56.46 1ipk n ASN 332 Cb 0.60 -0.92 -0.10 0.00 -1.54 0.00 0.00 39.78 37.83 1ipk n ASN 332 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 1ipk s LEU 333 N 6.25 2.79 -0.26 3.41 2.96 -1.08 -4.16 118.68 128.59 1ipk s LEU 333 Ca 1.21 -0.76 -0.06 0.00 -0.22 0.00 0.00 54.13 54.30 1ipk s LEU 333 Cb -1.46 -1.43 0.13 0.00 0.50 0.00 0.00 46.19 43.93 1ipk s LEU 333 CO 0.64 0.08 0.52 0.21 -1.32 0.00 0.00 176.35 176.48 1ipk s ASN 334 N -3.07 -0.70 0.35 3.68 2.47 -0.37 -2.36 114.94 114.94 1ipk s ASN 334 Ca 0.26 1.01 0.09 0.00 0.42 0.00 0.00 52.86 54.64 1ipk s ASN 334 Cb -0.07 1.79 -0.06 0.00 -1.45 0.00 0.00 41.25 41.46 1ipk s ASN 334 CO 0.15 -0.25 -0.03 0.72 -3.72 0.00 0.00 177.10 173.97 1ipk s PHE 335 N 2.75 2.48 -0.16 0.43 -0.71 -1.16 -0.83 117.98 120.77 1ipk s PHE 335 Ca 0.05 -0.50 0.01 0.00 -1.04 0.00 0.00 56.93 55.45 1ipk s PHE 335 Cb -0.13 -1.49 0.01 0.00 -1.21 0.00 0.00 43.02 40.20 1ipk s PHE 335 CO -0.17 0.51 -0.19 -1.17 -1.34 0.00 0.00 175.22 172.86 1ipk s LEU 336 N -3.67 2.23 -0.11 -1.99 2.96 0.38 -2.86 118.68 115.62 1ipk s LEU 336 Ca 0.34 -0.58 0.00 0.00 -0.22 0.00 0.00 54.13 53.67 1ipk s LEU 336 Cb 0.02 -1.50 -0.02 0.00 0.50 0.00 0.00 46.19 45.20 1ipk s LEU 336 CO 0.18 0.05 -0.11 0.00 -1.32 0.00 0.00 176.35 175.14 1ipk s ALA 337 N 1.01 2.72 -0.28 5.97 0.00 0.29 -1.32 121.76 130.14 1ipk s ALA 337 Ca -0.02 -0.90 -0.08 0.00 0.00 0.00 0.00 51.96 50.96 1ipk s ALA 337 Cb -0.15 -1.21 -0.02 0.00 0.00 0.00 0.00 23.12 21.75 1ipk s ALA 337 CO -0.05 0.34 0.10 -0.06 0.00 0.00 0.00 175.76 176.09 1ipk s PHE 338 N 0.02 3.13 -0.43 0.00 0.40 0.42 -1.51 117.98 120.01 1ipk s PHE 338 Ca -0.03 -0.54 -0.14 0.00 -0.60 0.00 0.00 56.93 55.62 1ipk s PHE 338 Cb -0.14 -2.28 0.06 0.00 0.51 0.00 0.00 43.02 41.16 1ipk s PHE 338 CO 0.04 -0.42 0.32 0.20 0.70 0.00 0.00 175.22 176.06 1ipk s GLY 339 N 1.60 2.01 0.38 4.36 0.00 0.46 -0.18 107.32 115.94 1ipk s GLY 339 Ca 0.05 -1.98 -0.24 0.00 0.00 0.00 0.00 44.72 42.56 1ipk s GLY 339 CO 0.05 0.98 0.99 -0.42 0.00 0.00 0.00 173.10 174.69 1ipk s ILE 340 N 1.60 4.06 -1.20 0.90 -1.09 0.23 0.17 121.20 125.86 1ipk s ILE 340 Ca 0.04 1.55 -0.07 0.00 -2.23 0.00 0.00 60.65 59.94 1ipk s ILE 340 Cb -0.22 -3.79 -0.02 0.00 -1.58 0.00 0.00 42.46 36.85 1ipk s ILE 340 CO 0.07 -0.01 0.79 -3.20 -1.23 0.00 0.00 174.94 171.35 1ipk n ASN 341 N 0.04 -3.45 0.20 3.58 4.05 -0.56 -1.45 115.26 117.67 1ipk n ASN 341 Ca 0.04 -0.84 0.12 0.00 0.45 0.00 0.00 54.58 54.36 1ipk n ASN 341 Cb 0.51 -4.20 0.17 0.00 1.23 0.00 0.00 39.78 37.49 1ipk n ASN 341 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1ipk h ALA 342 N 0.65 0.95 -0.90 5.20 0.00 -1.31 -3.35 119.26 120.49 1ipk h ALA 342 Ca -0.62 0.00 -0.85 0.00 0.00 0.00 0.00 54.91 53.44 1ipk h ALA 342 Cb 1.35 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.14 1ipk h ALA 342 CO 0.51 0.00 0.80 -1.91 0.00 0.00 0.00 179.25 178.66 1ipk n GLU 343 N -3.00 0.10 -0.84 0.00 4.07 -1.26 -0.38 120.64 119.33 1ipk n GLU 343 Ca 0.04 0.04 0.00 0.00 -0.06 0.00 0.00 57.16 57.17 1ipk n GLU 343 Cb 0.53 -1.56 0.00 0.00 -0.06 0.00 0.00 31.44 30.35 1ipk n GLU 343 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 1ipk n ASN 344 N 4.67 -3.71 -4.49 4.31 5.03 -1.26 -4.95 115.26 114.85 1ipk n ASN 344 Ca 0.34 0.00 -0.36 0.00 0.87 0.00 0.00 54.58 55.43 1ipk n ASN 344 Cb -0.04 -2.89 0.07 0.00 -1.02 0.00 0.00 39.78 35.89 1ipk n ASN 344 CO 0.00 0.00 0.00 -3.20 -1.83 0.00 0.00 177.26 172.23 1ipk n ASN 345 N -0.59 -0.93 -4.14 6.41 2.85 0.49 -4.96 115.26 114.39 1ipk n ASN 345 Ca 0.00 0.63 -0.17 0.00 -0.11 0.00 0.00 54.58 54.92 1ipk n ASN 345 Cb 0.29 -1.24 -0.12 0.00 1.24 0.00 0.00 39.78 39.96 1ipk n ASN 345 CO 0.00 0.00 0.00 -1.58 -2.11 0.00 0.00 177.26 173.57 1ipk s GLN 346 N -2.73 0.76 -0.26 1.20 0.74 -1.26 -4.93 119.66 113.18 1ipk s GLN 346 Ca 0.67 -0.87 -0.07 0.00 0.05 0.00 0.00 55.36 55.14 1ipk s GLN 346 Cb -0.36 -0.72 -0.02 0.00 1.10 0.00 0.00 33.01 33.01 1ipk s GLN 346 CO 0.56 0.16 0.06 0.50 -0.55 0.00 0.00 175.29 176.03 1ipk s ARG 347 N -1.58 3.49 -0.30 1.67 3.52 -1.26 0.72 118.95 125.19 1ipk s ARG 347 Ca -0.03 -0.59 -0.06 0.00 -0.13 0.00 0.00 55.73 54.92 1ipk s ARG 347 Cb -0.09 -3.31 0.02 0.00 -1.56 0.00 0.00 34.95 30.01 1ipk s ARG 347 CO 0.02 -0.26 0.08 -0.80 -0.81 0.00 0.00 175.30 173.53 1ipk s ASN 348 N 1.58 5.12 -0.26 -2.12 0.01 -0.03 -4.97 114.94 114.28 1ipk s ASN 348 Ca 0.05 -0.85 -0.19 0.00 -0.71 0.00 0.00 52.86 51.16 1ipk s ASN 348 Cb -0.16 -1.86 -0.02 0.00 0.41 0.00 0.00 41.25 39.62 1ipk s ASN 348 CO 0.03 -0.23 0.55 -0.36 -1.51 0.00 0.00 177.10 175.58 1ipk s PHE 349 N 1.46 3.28 0.08 2.20 0.08 -0.14 -0.70 117.98 124.23 1ipk s PHE 349 Ca 0.01 0.71 -0.11 0.00 0.12 0.00 0.00 56.93 57.66 1ipk s PHE 349 Cb -0.18 -2.76 -0.21 0.00 -0.57 0.00 0.00 43.02 39.30 1ipk s PHE 349 CO 0.02 -0.29 1.19 -0.07 -0.10 0.00 0.00 175.22 175.97 1ipk h LEU 350 N 8.80 0.76 -8.56 -0.37 3.38 -1.42 0.15 115.31 118.05 1ipk h LEU 350 Ca -0.28 -0.65 -0.69 0.00 0.09 0.00 0.00 57.88 56.34 1ipk h LEU 350 Cb 1.13 -0.23 -0.30 0.00 0.09 0.00 0.00 40.66 41.35 1ipk h LEU 350 CO 0.74 1.46 -0.88 0.00 0.09 0.00 0.00 178.44 179.84 1ipk s ALA 351 N -3.14 2.18 0.00 1.53 0.00 -1.22 -4.62 121.76 116.49 1ipk s ALA 351 Ca -0.08 -1.08 0.00 0.00 0.00 0.00 0.00 51.96 50.80 1ipk s ALA 351 Cb 0.07 -0.63 0.00 0.00 0.00 0.00 0.00 23.12 22.56 1ipk s ALA 351 CO 0.91 0.47 0.00 0.41 0.00 0.00 0.00 175.76 177.55 1ipk n GLY 352 N 2.70 3.69 0.07 0.00 0.00 -1.26 -4.64 105.19 105.75 1ipk n GLY 352 Ca -0.17 -1.72 -0.13 0.00 0.00 0.00 0.00 46.02 44.00 1ipk n GLY 352 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1ipk h GLU 353 N 0.00 -0.03 -6.08 1.61 4.81 -1.66 -3.40 114.58 109.83 1ipk h GLU 353 Ca 0.00 0.00 -0.60 0.00 -0.13 0.00 0.00 59.36 58.64 1ipk h GLU 353 Cb 0.00 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.34 1ipk h GLU 353 CO 0.00 0.60 -0.28 0.15 -0.73 0.00 0.00 179.01 178.76 1ipk s LYS 354 N -3.53 3.71 -1.41 1.92 1.02 -1.26 -4.26 119.74 115.93 1ipk s LYS 354 Ca -0.16 0.10 -0.05 0.00 0.02 0.00 0.00 55.97 55.88 1ipk s LYS 354 Cb 0.00 -2.99 0.03 0.00 -0.52 0.00 0.00 37.83 34.35 1ipk s LYS 354 CO 0.65 0.56 0.43 -0.25 -0.92 0.00 0.00 175.35 175.83 1ipk n ASP 355 N 0.84 -4.94 -4.61 2.83 9.92 -1.26 -4.71 116.55 114.62 1ipk n ASP 355 Ca -0.08 -0.23 -0.41 0.00 -0.53 0.00 0.00 54.79 53.54 1ipk n ASP 355 Cb 0.52 -4.05 -0.06 0.00 -0.64 0.00 0.00 41.12 36.89 1ipk n ASP 355 CO 0.00 0.00 0.00 0.21 0.13 0.00 0.00 177.20 177.54 1ipk s ASN 356 N -2.56 6.55 -0.00 -2.24 2.47 -1.23 -0.97 114.94 116.95 1ipk s ASN 356 Ca 0.27 0.56 -0.03 0.00 0.42 0.00 0.00 52.86 54.09 1ipk s ASN 356 Cb -0.13 -2.35 -0.02 0.00 -1.45 0.00 0.00 41.25 37.31 1ipk s ASN 356 CO 0.33 -0.47 0.51 1.62 -3.72 0.00 0.00 177.10 175.38 1ipk h VAL 357 N 5.51 0.00 -1.51 -5.21 3.04 -0.95 -3.26 116.25 113.86 1ipk h VAL 357 Ca -0.26 -0.08 0.45 0.00 -1.01 0.00 0.00 66.70 65.80 1ipk h VAL 357 Cb 1.12 0.00 -0.08 0.00 -2.01 0.00 0.00 31.29 30.32 1ipk h VAL 357 CO 0.81 0.00 1.07 0.52 -1.01 0.00 0.00 177.57 178.95 1ipk n VAL 358 N -2.51 -0.05 1.12 1.51 0.31 -1.26 0.21 118.33 117.67 1ipk n VAL 358 Ca -0.01 1.28 0.13 0.00 -0.01 0.00 0.00 64.34 65.73 1ipk n VAL 358 Cb 0.04 -2.12 0.63 0.00 -0.91 0.00 0.00 33.84 31.48 1ipk n VAL 358 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 1ipk n ARG 359 N -3.75 0.22 0.00 5.55 0.63 -1.23 -3.01 116.66 115.07 1ipk n ARG 359 Ca 0.36 0.04 0.11 0.00 -0.92 0.00 0.00 57.85 57.44 1ipk n ARG 359 Cb 1.57 -1.50 0.08 0.00 0.45 0.00 0.00 32.46 33.06 1ipk n ARG 359 CO 0.00 0.00 0.00 1.04 -2.51 0.00 0.00 177.63 176.16 1ipk n GLN 360 N -1.38 1.15 -2.12 -0.14 1.13 0.56 -4.93 117.38 111.65 1ipk n GLN 360 Ca 0.10 -0.90 -0.41 0.00 -1.94 0.00 0.00 57.00 53.85 1ipk n GLN 360 Cb 0.26 -1.48 -0.02 0.00 0.11 0.00 0.00 30.24 29.10 1ipk n GLN 360 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1ipk s ILE 361 N -2.48 2.85 0.05 5.09 1.01 -1.16 -4.90 121.20 121.67 1ipk s ILE 361 Ca 0.20 0.76 -0.33 0.00 0.00 0.00 0.00 60.65 61.27 1ipk s ILE 361 Cb 0.18 -3.48 -0.12 0.00 0.01 0.00 0.00 42.46 39.05 1ipk s ILE 361 CO 0.56 0.14 1.76 -0.62 0.00 0.00 0.00 174.94 176.79 1ipk n GLU 362 N 1.83 2.33 -0.10 2.79 1.02 -1.26 -4.81 120.64 122.45 1ipk n GLU 362 Ca 0.04 0.85 0.00 0.00 -0.02 0.00 0.00 57.16 58.03 1ipk n GLU 362 Cb 0.42 -2.68 0.02 0.00 -0.02 0.00 0.00 31.44 29.17 1ipk n GLU 362 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1ipk n ARG 363 N 5.26 -0.05 0.22 3.49 1.74 -1.26 -0.57 116.66 125.50 1ipk n ARG 363 Ca 0.19 0.40 -0.15 0.00 -0.77 0.00 0.00 57.85 57.52 1ipk n ARG 363 Cb 0.31 -0.59 -0.07 0.00 -1.02 0.00 0.00 32.46 31.09 1ipk n ARG 363 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 1ipk h GLN 364 N 0.00 -0.60 -0.90 5.56 7.50 -1.99 -2.68 115.11 122.00 1ipk h GLN 364 Ca 0.10 0.04 0.21 0.00 0.50 0.00 0.00 58.65 59.50 1ipk h GLN 364 Cb 0.16 0.14 -0.06 0.00 0.05 0.00 0.00 27.48 27.76 1ipk h GLN 364 CO -0.26 -0.40 0.60 0.28 -1.50 0.00 0.00 178.83 177.56 1ipk h VAL 365 N -0.62 0.66 0.02 -0.54 2.07 -1.18 -1.42 116.25 115.23 1ipk h VAL 365 Ca -0.03 -0.12 -0.00 0.00 0.82 0.00 0.00 66.70 67.37 1ipk h VAL 365 Cb 0.54 0.27 -0.00 0.00 -1.52 0.00 0.00 31.29 30.57 1ipk h VAL 365 CO -0.00 0.07 -0.02 1.56 0.02 0.00 0.00 177.57 179.20 1ipk h GLN 366 N 0.36 -0.03 -0.48 1.57 4.20 -1.34 0.22 115.11 119.61 1ipk h GLN 366 Ca 0.47 0.00 0.11 0.00 0.06 0.00 0.00 58.65 59.29 1ipk h GLN 366 Cb 1.24 0.01 -0.09 0.00 0.30 0.00 0.00 27.48 28.93 1ipk h GLN 366 CO -0.16 -0.02 -0.08 -1.91 -0.67 0.00 0.00 178.83 175.99 1ipk n GLU 367 N -2.29 -0.04 0.05 1.46 2.13 -0.55 0.20 120.64 121.60 1ipk n GLU 367 Ca -0.00 0.75 -0.15 0.00 0.66 0.00 0.00 57.16 58.41 1ipk n GLU 367 Cb 0.01 -1.14 -0.05 0.00 0.27 0.00 0.00 31.44 30.53 1ipk n GLU 367 CO 0.00 0.00 0.00 -0.07 -0.41 0.00 0.00 177.13 176.65 1ipk h LEU 368 N 0.00 0.67 0.16 4.31 4.07 -1.31 -3.35 115.31 119.87 1ipk h LEU 368 Ca 0.25 -0.51 -0.00 0.00 0.08 0.00 0.00 57.88 57.70 1ipk h LEU 368 Cb 0.44 -0.20 -0.01 0.00 1.08 0.00 0.00 40.66 41.97 1ipk h LEU 368 CO -0.48 1.30 -0.17 0.00 -1.08 0.00 0.00 178.44 178.01 1ipk h ALA 369 N 0.66 -0.88 -1.81 1.53 0.00 0.56 -3.44 119.26 115.87 1ipk h ALA 369 Ca -0.08 -0.06 -0.47 0.00 0.00 0.00 0.00 54.91 54.29 1ipk h ALA 369 Cb 1.56 0.41 -0.02 0.00 0.00 0.00 0.00 17.79 19.74 1ipk h ALA 369 CO 0.17 -0.89 -0.40 -0.06 0.00 0.00 0.00 179.25 178.07 1ipk s PHE 370 N -3.92 2.98 -1.17 0.00 0.40 -1.03 -5.00 117.98 110.24 1ipk s PHE 370 Ca -0.06 -0.28 -0.18 0.00 -0.60 0.00 0.00 56.93 55.82 1ipk s PHE 370 Cb 0.01 -1.90 -0.04 0.00 0.51 0.00 0.00 43.02 41.61 1ipk s PHE 370 CO 0.19 0.09 2.06 -0.35 0.70 0.00 0.00 175.22 177.91 1ipk n PRO 371 N -1.49 2.29 0.00 0.24 -0.04 -1.26 -4.69 135.00 130.05 1ipk n PRO 371 Ca -0.01 -2.36 0.00 0.00 -0.04 0.00 0.00 63.50 61.10 1ipk n PRO 371 Cb 0.59 -3.19 0.00 0.00 -0.04 0.00 0.00 33.50 30.86 1ipk n PRO 371 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1ipk n GLY 372 N 4.46 4.85 3.56 0.55 0.00 -1.26 -5.16 105.19 112.19 1ipk n GLY 372 Ca 0.50 -0.61 -0.17 0.00 0.00 0.00 0.00 46.02 45.75 1ipk n GLY 372 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ipk s SER 373 N 1.26 -0.69 0.13 1.61 0.15 -1.26 -4.89 113.70 110.01 1ipk s SER 373 Ca 0.00 0.98 -0.20 0.00 0.70 0.00 0.00 55.95 57.43 1ipk s SER 373 Cb 0.00 0.87 0.01 0.00 -1.71 0.00 0.00 66.02 65.19 1ipk s SER 373 CO 0.00 -0.48 1.10 0.00 1.20 0.00 0.00 173.24 175.06 1ipk n ALA 374 N 1.55 -0.36 0.17 5.45 0.00 -1.26 -0.37 120.51 125.69 1ipk n ALA 374 Ca -0.17 0.63 0.06 0.00 0.00 0.00 0.00 53.44 53.96 1ipk n ALA 374 Cb 0.56 -0.15 0.16 0.00 0.00 0.00 0.00 19.45 20.02 1ipk n ALA 374 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 1ipk h GLN 375 N 0.00 0.00 -0.00 0.00 4.15 -1.95 1.50 115.11 118.80 1ipk h GLN 375 Ca 0.15 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.57 1ipk h GLN 375 Cb 0.33 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.02 1ipk h GLN 375 CO -0.68 0.36 0.00 -3.47 -1.93 0.00 0.00 178.83 173.11 1ipk n ASP 376 N -3.25 0.11 0.00 -0.69 4.64 0.50 -2.76 116.55 115.09 1ipk n ASP 376 Ca 0.02 -1.14 0.00 0.00 -1.38 0.00 0.00 54.79 52.29 1ipk n ASP 376 Cb 0.62 -0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.70 1ipk n ASP 376 CO 0.00 0.00 0.00 0.52 -0.82 0.00 0.00 177.20 176.90 1ipk n VAL 377 N -0.87 0.00 0.30 5.18 0.31 -0.28 -3.95 118.33 119.02 1ipk n VAL 377 Ca 0.21 0.00 0.15 0.00 -0.01 0.00 0.00 64.34 64.69 1ipk n VAL 377 Cb 0.12 -0.16 0.69 0.00 -0.91 0.00 0.00 33.84 33.57 1ipk n VAL 377 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 1ipk h GLU 378 N 0.00 0.00 0.00 5.55 4.81 0.22 -3.27 114.58 121.89 1ipk h GLU 378 Ca 0.00 0.00 -0.28 0.00 -0.13 0.00 0.00 59.36 58.95 1ipk h GLU 378 Cb 0.28 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.62 1ipk h GLU 378 CO 0.00 0.00 -1.92 2.89 -0.73 0.00 0.00 179.01 179.25 1ipk n ARG 379 N -2.59 0.38 -0.28 1.92 -4.01 -1.11 -4.28 116.66 106.70 1ipk n ARG 379 Ca -0.00 0.17 0.04 0.00 -1.04 0.00 0.00 57.85 57.02 1ipk n ARG 379 Cb 0.17 -1.15 0.10 0.00 -3.04 0.00 0.00 32.46 28.55 1ipk n ARG 379 CO 0.00 0.00 0.00 -0.11 -3.04 0.00 0.00 177.63 174.48 1ipk n LEU 380 N -3.84 -0.29 0.16 2.89 -0.00 -1.23 0.10 117.00 114.79 1ipk n LEU 380 Ca -0.34 1.32 0.05 0.00 -0.00 0.00 0.00 56.01 57.04 1ipk n LEU 380 Cb 0.72 -0.39 0.07 0.00 -0.00 0.00 0.00 43.42 43.82 1ipk n LEU 380 CO 0.03 -1.26 0.57 -0.07 -0.00 0.00 0.00 177.39 176.66 1ipk h LEU 381 N 0.00 0.00 -0.01 -1.96 3.38 -1.84 -3.16 115.31 111.72 1ipk h LEU 381 Ca 0.36 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.33 1ipk h LEU 381 Cb 0.55 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.30 1ipk h LEU 381 CO -0.79 0.37 0.00 1.17 0.09 0.00 0.00 178.44 179.28 1ipk n LYS 382 N -3.20 1.01 -0.01 1.13 0.00 0.28 -3.60 118.16 113.78 1ipk n LYS 382 Ca 0.02 -0.01 -0.18 0.00 0.00 0.00 0.00 58.31 58.15 1ipk n LYS 382 Cb 0.67 -1.34 -0.07 0.00 0.00 0.00 0.00 35.03 34.29 1ipk n LYS 382 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.40 177.18 1ipk h LYS 383 N 0.02 0.76 -5.37 1.64 3.64 -1.38 -3.39 116.57 112.48 1ipk h LYS 383 Ca 0.00 -0.66 -0.64 0.00 -1.27 0.00 0.00 60.65 58.08 1ipk h LYS 383 Cb 0.00 0.15 -0.15 0.00 -0.41 0.00 0.00 32.23 31.82 1ipk h LYS 383 CO 0.00 1.26 0.64 -1.14 -2.27 0.00 0.00 179.45 177.94 1ipk s GLN 384 N -3.65 3.24 -0.12 1.90 2.00 -1.24 -4.90 119.66 116.89 1ipk s GLN 384 Ca -0.10 -1.06 0.02 0.00 -2.00 0.00 0.00 55.36 52.22 1ipk s GLN 384 Cb 0.08 -4.43 0.23 0.00 0.80 0.00 0.00 33.01 29.69 1ipk s GLN 384 CO 0.91 -1.82 1.14 0.54 -0.50 0.00 0.00 175.29 175.55 1ipk n ARG 385 N 7.48 1.72 -4.52 1.67 5.12 -1.26 -4.10 116.66 122.76 1ipk n ARG 385 Ca 0.04 -0.97 -0.30 0.00 -1.93 0.00 0.00 57.85 54.69 1ipk n ARG 385 Cb 0.46 -1.52 -0.12 0.00 -1.16 0.00 0.00 32.46 30.13 1ipk n ARG 385 CO 0.00 0.00 0.00 -2.00 -1.93 0.00 0.00 177.63 173.70 1ipk s GLU 386 N -1.24 1.90 0.04 5.56 2.56 -1.26 -4.89 118.70 121.36 1ipk s GLU 386 Ca 0.18 -1.09 0.08 0.00 0.00 0.00 0.00 54.97 54.14 1ipk s GLU 386 Cb 0.14 -2.13 -0.03 0.00 2.00 0.00 0.00 34.13 34.11 1ipk s GLU 386 CO 0.04 0.51 -0.21 -1.54 -0.56 0.00 0.00 175.26 173.50 1ipk s SER 387 N -1.74 3.59 0.00 -1.70 1.04 -1.26 -2.69 113.70 110.94 1ipk s SER 387 Ca 0.16 -0.47 0.00 0.00 0.48 0.00 0.00 55.95 56.12 1ipk s SER 387 Cb -0.10 -0.51 0.00 0.00 0.10 0.00 0.00 66.02 65.51 1ipk s SER 387 CO 0.07 0.26 0.00 -1.22 0.98 0.00 0.00 173.24 173.33 1ipk n TYR 388 N 1.68 0.00 -5.05 5.02 4.02 -1.26 -4.70 117.16 116.86 1ipk n TYR 388 Ca -0.16 0.00 -0.31 0.00 -0.01 0.00 0.00 57.90 57.42 1ipk n TYR 388 Cb 0.52 0.00 -0.15 0.00 -0.02 0.00 0.00 39.34 39.69 1ipk n TYR 388 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 176.86 175.79 1ipk s PHE 389 N 0.00 2.41 0.14 -0.72 0.08 -1.26 -1.32 117.98 117.31 1ipk s PHE 389 Ca 0.00 -0.37 -0.04 0.00 0.12 0.00 0.00 56.93 56.64 1ipk s PHE 389 Cb 0.00 -1.48 -0.03 0.00 -0.57 0.00 0.00 43.02 40.94 1ipk s PHE 389 CO 0.00 0.08 0.15 0.14 -0.10 0.00 0.00 175.22 175.48 1ipk s VAL 390 N -0.72 0.09 0.47 -0.44 -7.23 -1.05 -4.82 120.40 106.69 1ipk s VAL 390 Ca 0.11 -1.69 -0.08 0.00 -1.81 0.00 0.00 61.98 58.50 1ipk s VAL 390 Cb -0.10 -1.95 -0.05 0.00 0.56 0.00 0.00 36.38 34.84 1ipk s VAL 390 CO 0.01 -0.40 0.81 -0.62 -0.31 0.00 0.00 175.10 174.59 1ipk s ASP 391 N -3.01 6.38 0.00 4.85 3.68 -1.26 -1.11 116.67 126.20 1ipk s ASP 391 Ca 0.21 1.09 0.07 0.00 2.13 0.00 0.00 52.55 56.05 1ipk s ASP 391 Cb 0.06 -2.31 0.05 0.00 -1.45 0.00 0.00 42.92 39.27 1ipk s ASP 391 CO 0.01 -0.54 0.71 0.00 0.13 0.00 0.00 175.17 175.48