#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pkk s ILE 2 N 0.00 5.00 0.18 2.02 1.01 -1.26 -1.41 121.20 126.74 1pkk s ILE 2 Ca 0.00 0.92 -0.30 0.00 0.00 0.00 0.00 60.65 61.27 1pkk s ILE 2 Cb 0.00 -3.76 -0.08 0.00 0.01 0.00 0.00 42.46 38.63 1pkk s ILE 2 CO 0.00 0.54 1.27 -0.76 0.00 0.00 0.00 174.94 175.99 1pkk s LEU 3 N -0.83 4.42 0.00 2.97 1.02 0.31 -4.97 118.68 121.61 1pkk s LEU 3 Ca 0.25 2.32 -0.07 0.00 0.02 0.00 0.00 54.13 56.65 1pkk s LEU 3 Cb -0.17 -3.61 0.17 0.00 0.02 0.00 0.00 46.19 42.61 1pkk s LEU 3 CO 0.14 -0.48 1.11 -1.54 0.02 0.00 0.00 176.35 175.60 1pkk n SER 4 N 2.70 0.82 -0.35 2.29 3.41 -1.26 -4.45 113.62 116.76 1pkk n SER 4 Ca 0.06 -1.85 0.03 0.00 -0.26 0.00 0.00 58.87 56.85 1pkk n SER 4 Cb 0.44 -0.78 0.17 0.00 -0.26 0.00 0.00 64.21 63.78 1pkk n SER 4 CO 0.00 0.00 0.00 -2.24 -0.16 0.00 0.00 175.04 172.64 1pkk h ASP 5 N -1.05 0.98 -0.69 4.04 -0.00 -1.16 -0.43 116.42 118.11 1pkk h ASP 5 Ca -0.36 0.02 -0.03 0.00 -0.00 0.00 0.00 57.03 56.66 1pkk h ASP 5 Cb 1.18 -0.19 -0.03 0.00 -0.00 0.00 0.00 39.33 40.28 1pkk h ASP 5 CO 0.33 0.61 0.34 0.50 -0.00 0.00 0.00 179.24 181.02 1pkk h LYS 6 N 1.11 1.02 -0.13 4.15 3.64 -1.89 -1.08 116.57 123.38 1pkk h LYS 6 Ca 0.43 -0.14 -0.12 0.00 -1.27 0.00 0.00 60.65 59.55 1pkk h LYS 6 Cb 0.20 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 31.84 1pkk h LYS 6 CO -0.18 0.79 -0.38 -0.44 -2.27 0.00 0.00 179.45 176.97 1pkk h ASP 7 N 1.01 0.56 -0.21 4.20 3.45 -1.69 -2.25 116.42 121.49 1pkk h ASP 7 Ca 0.25 -0.59 0.05 0.00 0.43 0.00 0.00 57.03 57.16 1pkk h ASP 7 Cb 0.11 -0.16 -0.05 0.00 -0.56 0.00 0.00 39.33 38.67 1pkk h ASP 7 CO -0.03 1.06 -0.08 0.40 -1.57 0.00 0.00 179.24 179.02 1pkk h ILE 8 N 0.10 0.73 -0.58 0.35 2.04 -0.80 0.21 117.51 119.56 1pkk h ILE 8 Ca -0.01 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.89 1pkk h ILE 8 Cb 1.00 0.73 -0.04 0.00 -0.74 0.00 0.00 36.82 37.76 1pkk h ILE 8 CO 0.08 0.00 0.33 0.40 0.00 0.00 0.00 178.15 178.97 1pkk h ILE 9 N -0.04 1.02 0.17 -0.67 1.08 -1.22 -1.45 117.51 116.39 1pkk h ILE 9 Ca 0.11 -0.22 0.01 0.00 -0.39 0.00 0.00 64.86 64.37 1pkk h ILE 9 Cb 0.21 0.31 -0.02 0.00 -3.07 0.00 0.00 36.82 34.25 1pkk h ILE 9 CO -0.24 0.12 -0.19 0.44 -0.69 0.00 0.00 178.15 177.59 1pkk h ASP 10 N 0.65 -0.51 -0.41 1.72 3.32 -0.72 -0.77 116.42 119.70 1pkk h ASP 10 Ca 0.25 0.05 -0.02 0.00 0.02 0.00 0.00 57.03 57.32 1pkk h ASP 10 Cb 0.09 0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.79 1pkk h ASP 10 CO -0.13 -0.28 0.18 1.88 -1.72 0.00 0.00 179.24 179.17 1pkk h TYR 11 N -0.39 0.64 -0.24 4.55 0.99 -0.78 -2.08 116.97 119.65 1pkk h TYR 11 Ca 0.01 -0.02 -0.14 0.00 2.00 0.00 0.00 58.73 60.57 1pkk h TYR 11 Cb 0.38 -0.20 -0.00 0.00 1.00 0.00 0.00 36.73 37.91 1pkk h TYR 11 CO -0.16 0.50 -0.41 0.28 -0.00 0.00 0.00 178.16 178.38 1pkk h VAL 12 N 0.64 1.31 -0.62 -2.88 2.07 -1.12 0.16 116.25 115.81 1pkk h VAL 12 Ca 0.16 -1.62 0.03 0.00 0.82 0.00 0.00 66.70 66.10 1pkk h VAL 12 Cb 0.13 1.74 -0.04 0.00 -1.52 0.00 0.00 31.29 31.60 1pkk h VAL 12 CO -0.02 0.51 0.37 0.74 0.02 0.00 0.00 177.57 179.20 1pkk h THR 13 N 0.43 1.05 -0.10 2.57 2.02 -0.73 -2.02 112.91 116.13 1pkk h THR 13 Ca 0.02 -0.25 0.00 0.00 0.77 0.00 0.00 66.41 66.95 1pkk h THR 13 Cb 1.01 0.27 0.00 0.00 -1.74 0.00 0.00 68.15 67.69 1pkk h THR 13 CO 0.09 0.13 0.00 -1.54 0.37 0.00 0.00 175.52 174.57 1pkk n SER 14 N -4.75 1.15 -1.03 4.18 3.41 -0.82 -4.91 113.62 110.84 1pkk n SER 14 Ca 0.06 -1.58 -0.13 0.00 -0.26 0.00 0.00 58.87 56.96 1pkk n SER 14 Cb 0.10 -0.06 -0.05 0.00 -0.26 0.00 0.00 64.21 63.94 1pkk n SER 14 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1pkk n LYS 15 N -0.04 -0.90 -0.01 4.33 5.02 -0.76 -4.88 118.16 120.94 1pkk n LYS 15 Ca 0.16 0.90 -0.11 0.00 -2.02 0.00 0.00 58.31 57.23 1pkk n LYS 15 Cb 0.25 -4.95 0.02 0.00 -0.02 0.00 0.00 35.03 30.33 1pkk n LYS 15 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1pkk h ARG 16 N 0.00 0.62 -5.05 1.97 3.08 -0.97 -3.40 114.38 110.63 1pkk h ARG 16 Ca -0.26 -0.42 -0.66 0.00 0.07 0.00 0.00 59.98 58.71 1pkk h ARG 16 Cb 0.88 0.06 -0.35 0.00 0.08 0.00 0.00 29.97 30.64 1pkk h ARG 16 CO 0.37 1.04 -0.86 0.42 -1.07 0.00 0.00 179.97 179.87 1pkk s ILE 17 N -3.93 1.96 -0.04 2.04 1.01 -0.84 -3.65 121.20 117.75 1pkk s ILE 17 Ca -0.08 -0.90 -0.16 0.00 0.00 0.00 0.00 60.65 59.51 1pkk s ILE 17 Cb 0.11 -1.76 -0.05 0.00 0.01 0.00 0.00 42.46 40.77 1pkk s ILE 17 CO 0.86 0.53 0.43 -0.63 0.00 0.00 0.00 174.94 176.12 1pkk s ILE 18 N 1.08 5.08 -0.14 2.92 -1.09 -0.66 -4.10 121.20 124.29 1pkk s ILE 18 Ca -0.01 0.87 -0.04 0.00 -2.23 0.00 0.00 60.65 59.24 1pkk s ILE 18 Cb -0.14 -3.74 0.06 0.00 -1.58 0.00 0.00 42.46 37.06 1pkk s ILE 18 CO -0.07 0.49 0.14 -0.63 -1.23 0.00 0.00 174.94 173.65 1pkk s ILE 19 N -0.49 -0.21 -0.09 2.92 1.01 -1.26 -1.91 121.20 121.18 1pkk s ILE 19 Ca 0.24 0.07 -0.01 0.00 0.00 0.00 0.00 60.65 60.94 1pkk s ILE 19 Cb -0.16 -0.47 0.03 0.00 0.01 0.00 0.00 42.46 41.87 1pkk s ILE 19 CO 0.12 -0.09 0.00 -0.54 0.00 0.00 0.00 174.94 174.44 1pkk s LYS 20 N 2.24 0.64 0.58 2.79 1.02 0.03 -3.23 119.74 123.81 1pkk s LYS 20 Ca 0.04 0.04 -0.14 0.00 0.02 0.00 0.00 55.97 55.93 1pkk s LYS 20 Cb -0.14 -1.11 -0.05 0.00 -0.52 0.00 0.00 37.83 36.01 1pkk s LYS 20 CO -0.08 -0.34 1.02 -1.25 -0.92 0.00 0.00 175.35 173.78 1pkk s PRO 21 N 1.95 3.59 -0.10 -1.68 0.04 -1.26 -0.19 135.00 137.34 1pkk s PRO 21 Ca 0.04 0.95 -0.00 0.00 0.04 0.00 0.00 61.00 62.03 1pkk s PRO 21 Cb -0.13 -2.08 -0.02 0.00 0.04 0.00 0.00 34.50 32.31 1pkk s PRO 21 CO -0.06 -0.58 -0.09 0.12 0.04 0.00 0.00 177.00 176.44 1pkk s PHE 22 N -2.80 2.90 -0.22 0.56 2.19 -1.20 -4.85 117.98 114.56 1pkk s PHE 22 Ca 0.59 -0.24 0.00 0.00 0.33 0.00 0.00 56.93 57.61 1pkk s PHE 22 Cb -0.12 -1.79 0.06 0.00 -1.31 0.00 0.00 43.02 39.85 1pkk s PHE 22 CO 0.42 0.09 -0.05 -0.80 1.83 0.00 0.00 175.22 176.71 1pkk s ASN 23 N -0.23 3.62 0.59 6.13 0.01 -1.26 -5.01 114.94 118.79 1pkk s ASN 23 Ca 0.02 -1.06 0.28 0.00 -0.71 0.00 0.00 52.86 51.40 1pkk s ASN 23 Cb -0.13 -1.11 1.72 0.00 0.41 0.00 0.00 41.25 42.14 1pkk s ASN 23 CO 0.03 -0.22 2.19 0.50 -1.51 0.00 0.00 177.10 178.08 1pkk h LYS 24 N 8.00 0.00 0.00 -0.60 3.64 -1.99 -0.05 116.57 125.57 1pkk h LYS 24 Ca -0.20 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.18 1pkk h LYS 24 Cb 1.08 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.90 1pkk h LYS 24 CO 0.41 0.00 0.00 -0.40 -2.27 0.00 0.00 179.45 177.19 1pkk n ASP 25 N -3.87 0.00 -0.23 4.20 3.85 -1.26 -2.59 116.55 116.65 1pkk n ASP 25 Ca -0.01 -0.10 0.13 0.00 -0.71 0.00 0.00 54.79 54.10 1pkk n ASP 25 Cb 0.19 -0.29 0.39 0.00 -1.35 0.00 0.00 41.12 40.06 1pkk n ASP 25 CO 0.00 0.00 0.00 0.49 -1.01 0.00 0.00 177.20 176.68 1pkk n PHE 26 N -1.29 0.00 -2.70 2.11 3.01 -0.03 -4.84 117.46 113.72 1pkk n PHE 26 Ca 0.13 0.00 -0.43 0.00 1.01 0.00 0.00 57.45 58.16 1pkk n PHE 26 Cb 0.22 -0.13 -0.02 0.00 -0.01 0.00 0.00 39.48 39.54 1pkk n PHE 26 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 1pkk s VAL 27 N -2.51 4.71 0.38 -4.37 1.01 -1.07 -0.99 120.40 117.56 1pkk s VAL 27 Ca 0.24 1.96 0.06 0.00 0.00 0.00 0.00 61.98 64.24 1pkk s VAL 27 Cb 0.19 -4.28 0.06 0.00 0.00 0.00 0.00 36.38 32.35 1pkk s VAL 27 CO 0.52 -0.15 0.50 0.61 0.00 0.00 0.00 175.10 176.58 1pkk n GLY 28 N 3.37 2.05 0.36 4.51 0.00 0.79 -5.00 105.19 111.26 1pkk n GLY 28 Ca 0.11 -2.20 0.13 0.00 0.00 0.00 0.00 46.02 44.06 1pkk n GLY 28 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1pkk h PRO 29 N 0.00 0.74 -0.24 1.61 0.11 -1.96 -3.31 132.00 128.96 1pkk h PRO 29 Ca -0.18 -0.04 -0.23 0.00 0.11 0.00 0.00 66.00 65.66 1pkk h PRO 29 Cb 0.82 -0.17 -0.24 0.00 0.11 0.00 0.00 31.00 31.52 1pkk h PRO 29 CO 0.26 0.49 -0.60 0.00 -0.21 0.00 0.00 178.00 177.95 1pkk s SER 31 N -1.97 -0.10 -0.09 0.00 1.04 -1.25 -4.59 113.70 106.74 1pkk s SER 31 Ca 0.19 -0.33 0.01 0.00 0.48 0.00 0.00 55.95 56.30 1pkk s SER 31 Cb 0.41 0.35 0.02 0.00 0.10 0.00 0.00 66.02 66.90 1pkk s SER 31 CO -0.08 -0.66 -0.10 -0.47 0.98 0.00 0.00 173.24 172.92 1pkk s TYR 32 N -2.76 1.46 0.26 5.02 5.04 0.09 -0.15 117.35 126.32 1pkk s TYR 32 Ca 0.15 -0.64 -0.30 0.00 -2.44 0.00 0.00 57.07 53.84 1pkk s TYR 32 Cb 0.01 -1.15 -0.09 0.00 0.35 0.00 0.00 41.96 41.08 1pkk s TYR 32 CO 0.00 -0.40 1.10 -0.51 -1.34 0.00 0.00 175.55 174.40 1pkk s ASP 33 N 1.23 7.26 0.25 4.32 1.01 -0.16 -0.45 116.67 130.13 1pkk s ASP 33 Ca -0.04 2.24 0.11 0.00 0.71 0.00 0.00 52.55 55.57 1pkk s ASP 33 Cb -0.14 -2.62 -0.05 0.00 1.01 0.00 0.00 42.92 41.12 1pkk s ASP 33 CO -0.03 -0.17 -0.16 0.68 0.21 0.00 0.00 175.17 175.70 1pkk s VAL 34 N -0.95 2.69 0.24 -1.27 -7.23 -0.58 -4.92 120.40 108.38 1pkk s VAL 34 Ca 0.46 -2.19 0.10 0.00 -1.81 0.00 0.00 61.98 58.54 1pkk s VAL 34 Cb -0.32 -2.39 -0.05 0.00 0.56 0.00 0.00 36.38 34.19 1pkk s VAL 34 CO 0.40 -0.32 -0.12 0.42 -0.31 0.00 0.00 175.10 175.17 1pkk s THR 35 N -2.26 2.93 -0.20 5.32 -4.23 -1.26 -1.25 115.64 114.69 1pkk s THR 35 Ca 0.28 -2.04 -0.26 0.00 -1.18 0.00 0.00 61.69 58.49 1pkk s THR 35 Cb -0.06 -2.51 -0.01 0.00 1.34 0.00 0.00 72.50 71.26 1pkk s THR 35 CO 0.15 -0.29 0.90 -0.22 -0.54 0.00 0.00 174.62 174.62 1pkk s LEU 36 N -3.30 4.13 0.90 4.79 2.96 -0.32 -0.99 118.68 126.84 1pkk s LEU 36 Ca 0.28 1.21 -0.12 0.00 -0.22 0.00 0.00 54.13 55.29 1pkk s LEU 36 Cb -0.07 -3.33 0.13 0.00 0.50 0.00 0.00 46.19 43.43 1pkk s LEU 36 CO 0.16 -0.51 1.10 -0.83 -1.32 0.00 0.00 176.35 174.95 1pkk s GLY 37 N 1.22 1.60 0.00 7.98 0.00 0.55 0.06 107.32 118.73 1pkk s GLY 37 Ca 0.40 -0.22 0.28 0.00 0.00 0.00 0.00 44.72 45.18 1pkk s GLY 37 CO 0.10 0.29 1.69 2.09 0.00 0.00 0.00 173.10 177.27 1pkk n ASP 38 N -3.83 1.63 -4.62 1.64 5.68 -1.26 -4.70 116.55 111.09 1pkk n ASP 38 Ca 0.07 -1.52 -0.34 0.00 -0.50 0.00 0.00 54.79 52.49 1pkk n ASP 38 Cb 0.56 0.01 -0.10 0.00 -1.14 0.00 0.00 41.12 40.45 1pkk n ASP 38 CO 0.00 0.00 0.00 -1.61 -1.33 0.00 0.00 177.20 174.26 1pkk s GLU 39 N -2.03 3.73 0.17 0.11 2.02 -1.26 -1.35 118.70 120.09 1pkk s GLU 39 Ca 0.36 -0.39 0.06 0.00 0.02 0.00 0.00 54.97 55.03 1pkk s GLU 39 Cb 0.21 -3.07 -0.04 0.00 0.10 0.00 0.00 34.13 31.32 1pkk s GLU 39 CO 0.34 0.36 -0.12 -0.06 0.02 0.00 0.00 175.26 175.79 1pkk s PHE 40 N 0.11 1.47 -0.05 1.61 0.40 -0.33 -4.11 117.98 117.09 1pkk s PHE 40 Ca 0.03 -0.66 0.04 0.00 -0.60 0.00 0.00 56.93 55.75 1pkk s PHE 40 Cb -0.13 -0.72 -0.00 0.00 0.51 0.00 0.00 43.02 42.68 1pkk s PHE 40 CO 0.01 0.21 -0.18 0.42 0.70 0.00 0.00 175.22 176.38 1pkk s ILE 41 N -3.06 1.52 -0.15 0.64 1.01 0.26 -1.57 121.20 119.86 1pkk s ILE 41 Ca 0.18 -0.76 0.00 0.00 0.00 0.00 0.00 60.65 60.07 1pkk s ILE 41 Cb 0.00 -1.30 0.02 0.00 0.01 0.00 0.00 42.46 41.20 1pkk s ILE 41 CO 0.04 0.43 -0.13 -0.63 0.00 0.00 0.00 174.94 174.65 1pkk s ILE 42 N 0.03 1.50 0.67 2.92 1.09 -0.51 -1.11 121.20 125.80 1pkk s ILE 42 Ca -0.04 -0.62 -0.15 0.00 -1.10 0.00 0.00 60.65 58.74 1pkk s ILE 42 Cb -0.12 -1.44 0.01 0.00 -1.06 0.00 0.00 42.46 39.85 1pkk s ILE 42 CO 0.03 0.42 1.13 -0.31 -0.10 0.00 0.00 174.94 176.11 1pkk s TYR 43 N 1.51 2.51 -0.39 3.97 2.02 -1.26 -0.62 117.35 125.09 1pkk s TYR 43 Ca 0.05 1.56 0.09 0.00 -0.37 0.00 0.00 57.07 58.40 1pkk s TYR 43 Cb -0.13 -3.23 0.27 0.00 -0.40 0.00 0.00 41.96 38.48 1pkk s TYR 43 CO -0.10 -1.85 0.57 -3.47 -1.57 0.00 0.00 175.55 169.13 1pkk n ASP 44 N -2.45 0.40 -3.92 2.29 2.03 0.86 -4.85 116.55 110.91 1pkk n ASP 44 Ca 0.11 -2.78 -0.10 0.00 0.52 0.00 0.00 54.79 52.54 1pkk n ASP 44 Cb 0.52 -0.64 -0.10 0.00 -0.72 0.00 0.00 41.12 40.18 1pkk n ASP 44 CO 0.00 0.00 0.00 -1.81 -1.92 0.00 0.00 177.20 173.47 1pkk s ASP 45 N -1.50 0.14 0.11 1.67 1.01 -1.26 -4.61 116.67 112.22 1pkk s ASP 45 Ca 0.36 -0.42 -0.18 0.00 0.71 0.00 0.00 52.55 53.03 1pkk s ASP 45 Cb 0.21 0.19 -0.05 0.00 1.01 0.00 0.00 42.92 44.28 1pkk s ASP 45 CO -0.10 -0.41 1.61 -0.08 0.21 0.00 0.00 175.17 176.40 1pkk h GLU 46 N 4.09 0.46 -4.47 8.23 4.81 -1.99 -3.45 114.58 122.26 1pkk h GLU 46 Ca -0.32 -0.10 -0.18 0.00 -0.13 0.00 0.00 59.36 58.63 1pkk h GLU 46 Cb 1.19 -0.06 -0.15 0.00 0.63 0.00 0.00 28.75 30.36 1pkk h GLU 46 CO 0.45 0.53 -0.69 0.14 -0.73 0.00 0.00 179.01 178.71 1pkk s VAL 47 N -5.36 0.47 -0.35 0.32 -7.23 -1.26 -5.13 120.40 101.86 1pkk s VAL 47 Ca -0.13 -1.88 -0.11 0.00 -1.81 0.00 0.00 61.98 58.05 1pkk s VAL 47 Cb 0.08 -1.64 0.02 0.00 0.56 0.00 0.00 36.38 35.40 1pkk s VAL 47 CO 0.74 -0.90 0.19 -0.31 -0.31 0.00 0.00 175.10 174.50 1pkk s TYR 48 N -3.77 3.22 -0.29 2.82 2.02 -1.26 -5.04 117.35 115.05 1pkk s TYR 48 Ca 0.10 -0.82 -0.01 0.00 -0.37 0.00 0.00 57.07 55.97 1pkk s TYR 48 Cb 0.07 -2.41 0.05 0.00 -0.40 0.00 0.00 41.96 39.26 1pkk s TYR 48 CO -0.07 -0.58 -0.02 0.34 -1.57 0.00 0.00 175.55 173.66 1pkk s ASP 49 N 1.58 4.81 0.17 2.29 -1.08 -1.26 -4.99 116.67 118.19 1pkk s ASP 49 Ca 0.03 -1.26 0.15 0.00 -0.52 0.00 0.00 52.55 50.95 1pkk s ASP 49 Cb -0.18 -1.69 0.72 0.00 -1.46 0.00 0.00 42.92 40.31 1pkk s ASP 49 CO 0.07 -0.24 1.46 0.18 0.52 0.00 0.00 175.17 177.15 1pkk n LEU 50 N 4.61 0.34 0.28 -1.34 4.77 -1.26 -1.60 117.00 122.80 1pkk n LEU 50 Ca -0.13 0.63 0.17 0.00 -0.03 0.00 0.00 56.01 56.64 1pkk n LEU 50 Cb 0.43 -0.63 0.69 0.00 -2.33 0.00 0.00 43.42 41.58 1pkk n LEU 50 CO 0.26 -0.63 0.99 0.77 -1.33 0.00 0.00 177.39 177.46 1pkk h SER 51 N 0.00 0.00 -1.32 -1.43 4.64 -2.04 -3.44 113.55 109.96 1pkk h SER 51 Ca 0.00 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 60.77 1pkk h SER 51 Cb 0.12 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.15 1pkk h SER 51 CO 0.00 0.00 -0.43 -0.54 -0.87 0.00 0.00 176.83 175.00 1pkk s LYS 52 N -3.68 2.31 -0.31 4.77 1.02 -0.63 -5.08 119.74 118.15 1pkk s LYS 52 Ca 0.01 -1.82 -0.21 0.00 0.02 0.00 0.00 55.97 53.97 1pkk s LYS 52 Cb 0.09 -2.09 -0.01 0.00 -0.52 0.00 0.00 37.83 35.30 1pkk s LYS 52 CO 0.54 -0.25 0.66 -2.00 -0.92 0.00 0.00 175.35 173.38 1pkk s GLU 53 N -4.04 3.90 0.46 1.68 2.12 -1.26 -4.92 118.70 116.63 1pkk s GLU 53 Ca 0.40 0.33 -0.23 0.00 0.36 0.00 0.00 54.97 55.83 1pkk s GLU 53 Cb 0.01 -3.73 -0.07 0.00 0.26 0.00 0.00 34.13 30.59 1pkk s GLU 53 CO 0.23 -0.60 1.20 -0.51 -0.54 0.00 0.00 175.26 175.04 1pkk s LEU 54 N 2.67 4.04 0.18 2.70 1.43 -1.26 -5.01 118.68 123.43 1pkk s LEU 54 Ca 0.26 2.39 -0.24 0.00 -1.03 0.00 0.00 54.13 55.51 1pkk s LEU 54 Cb -0.15 -4.19 -0.08 0.00 0.03 0.00 0.00 46.19 41.80 1pkk s LEU 54 CO 0.12 -0.95 0.77 0.20 0.23 0.00 0.00 176.35 176.72 1pkk s ASN 55 N -1.24 7.31 0.31 2.29 0.02 -1.26 -4.99 114.94 117.38 1pkk s ASN 55 Ca 0.63 1.60 -0.14 0.00 -1.02 0.00 0.00 52.86 53.93 1pkk s ASN 55 Cb -0.31 -2.48 0.02 0.00 0.02 0.00 0.00 41.25 38.50 1pkk s ASN 55 CO 0.38 0.16 0.63 -0.72 0.02 0.00 0.00 177.10 177.56 1pkk s TYR 56 N -1.26 0.30 -0.03 2.20 -0.85 -1.26 -0.10 117.35 116.35 1pkk s TYR 56 Ca 0.38 -0.75 0.02 0.00 -0.52 0.00 0.00 57.07 56.20 1pkk s TYR 56 Cb -0.21 0.45 0.01 0.00 0.38 0.00 0.00 41.96 42.58 1pkk s TYR 56 CO 0.25 -1.25 -0.09 0.15 -1.52 0.00 0.00 175.55 173.09 1pkk s LYS 57 N -3.30 1.03 -0.19 -3.49 3.01 0.21 -4.88 119.74 112.13 1pkk s LYS 57 Ca 0.19 -0.28 -0.09 0.00 -1.01 0.00 0.00 55.97 54.78 1pkk s LYS 57 Cb -0.03 -0.95 -0.05 0.00 -1.01 0.00 0.00 37.83 35.79 1pkk s LYS 57 CO 0.11 0.06 0.13 1.03 0.51 0.00 0.00 175.35 177.19 1pkk s ARG 58 N 0.40 4.08 0.13 1.68 0.52 -1.26 -1.42 118.95 123.08 1pkk s ARG 58 Ca -0.06 -0.22 0.06 0.00 -0.52 0.00 0.00 55.73 54.99 1pkk s ARG 58 Cb -0.11 -3.38 -0.04 0.00 0.52 0.00 0.00 34.95 31.94 1pkk s ARG 58 CO 0.01 0.36 -0.15 0.96 0.02 0.00 0.00 175.30 176.50 1pkk s ILE 59 N 0.19 1.41 -0.10 1.52 -4.36 -0.61 -5.00 121.20 114.25 1pkk s ILE 59 Ca 0.09 -1.75 0.00 0.00 -0.26 0.00 0.00 60.65 58.73 1pkk s ILE 59 Cb -0.11 -1.58 0.02 0.00 1.25 0.00 0.00 42.46 42.04 1pkk s ILE 59 CO -0.01 -0.39 -0.08 -0.75 0.24 0.00 0.00 174.94 173.94 1pkk s LYS 60 N -2.68 1.53 0.15 0.37 2.20 -1.26 -1.18 119.74 118.87 1pkk s LYS 60 Ca 0.10 -0.28 -0.14 0.00 -0.36 0.00 0.00 55.97 55.29 1pkk s LYS 60 Cb -0.05 -1.52 -0.07 0.00 -1.51 0.00 0.00 37.83 34.68 1pkk s LYS 60 CO 0.04 -0.20 0.55 0.96 -0.36 0.00 0.00 175.35 176.33 1pkk s ILE 61 N 1.48 4.85 0.08 5.43 -4.36 -0.46 -5.00 121.20 123.23 1pkk s ILE 61 Ca 0.01 0.83 -0.12 0.00 -0.26 0.00 0.00 60.65 61.11 1pkk s ILE 61 Cb -0.13 -3.74 -0.23 0.00 1.25 0.00 0.00 42.46 39.61 1pkk s ILE 61 CO -0.06 0.25 1.20 0.11 0.24 0.00 0.00 174.94 176.68 1pkk h LYS 62 N 3.57 0.64 0.00 0.37 1.57 -1.95 -3.46 116.57 117.31 1pkk h LYS 62 Ca -0.49 -0.71 0.00 0.00 -1.87 0.00 0.00 60.65 57.59 1pkk h LYS 62 Cb 1.19 0.20 0.00 0.00 0.08 0.00 0.00 32.23 33.71 1pkk h LYS 62 CO 0.66 1.29 0.00 -1.71 -0.57 0.00 0.00 179.45 179.12 1pkk n ASN 63 N -3.82 0.00 -3.93 0.86 5.15 -1.26 -4.95 115.26 107.31 1pkk n ASN 63 Ca -0.10 0.00 -0.09 0.00 -0.60 0.00 0.00 54.58 53.78 1pkk n ASN 63 Cb 0.89 0.05 -0.07 0.00 -0.53 0.00 0.00 39.78 40.11 1pkk n ASN 63 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 1pkk s SER 64 N -2.77 0.04 -0.02 1.20 1.04 -1.26 -0.39 113.70 111.55 1pkk s SER 64 Ca 0.00 -0.82 -0.05 0.00 0.48 0.00 0.00 55.95 55.57 1pkk s SER 64 Cb 0.00 0.42 0.00 0.00 0.10 0.00 0.00 66.02 66.54 1pkk s SER 64 CO 0.00 -0.87 0.10 -0.51 0.98 0.00 0.00 173.24 172.94 1pkk s ILE 65 N -3.94 0.05 -0.28 -1.02 2.07 -0.57 -1.57 121.20 115.93 1pkk s ILE 65 Ca 0.15 -0.42 -0.08 0.00 -1.41 0.00 0.00 60.65 58.89 1pkk s ILE 65 Cb 0.03 -0.29 -0.01 0.00 0.13 0.00 0.00 42.46 42.33 1pkk s ILE 65 CO -0.02 -0.23 0.10 -0.22 -1.91 0.00 0.00 174.94 172.66 1pkk s LEU 66 N -0.75 3.77 -0.39 8.50 2.96 0.04 -1.16 118.68 131.65 1pkk s LEU 66 Ca -0.08 -0.44 -0.14 0.00 -0.22 0.00 0.00 54.13 53.25 1pkk s LEU 66 Cb -0.05 -1.94 0.02 0.00 0.50 0.00 0.00 46.19 44.72 1pkk s LEU 66 CO 0.01 -0.13 0.27 -0.69 -1.32 0.00 0.00 176.35 174.49 1pkk s VAL 67 N 1.59 5.11 0.10 1.68 1.01 -0.29 -1.17 120.40 128.43 1pkk s VAL 67 Ca 0.05 -0.65 -0.03 0.00 0.00 0.00 0.00 61.98 61.35 1pkk s VAL 67 Cb -0.16 -3.82 -0.05 0.00 0.00 0.00 0.00 36.38 32.35 1pkk s VAL 67 CO 0.04 -0.25 0.30 0.00 0.00 0.00 0.00 175.10 175.19 1pkk s PRO 69 N -2.55 0.94 0.70 0.00 0.02 -1.26 -1.23 135.00 131.63 1pkk s PRO 69 Ca 0.38 1.50 -0.17 0.00 0.02 0.00 0.00 61.00 62.73 1pkk s PRO 69 Cb -0.13 -1.72 0.02 0.00 0.02 0.00 0.00 34.50 32.69 1pkk s PRO 69 CO 0.26 -2.67 1.26 -0.11 -0.33 0.00 0.00 177.00 175.41 1pkk n LEU 70 N -4.26 5.54 -2.86 -5.54 7.94 -1.26 -2.83 117.00 113.73 1pkk n LEU 70 Ca 0.11 0.75 -0.21 0.00 -1.11 0.00 0.00 56.01 55.55 1pkk n LEU 70 Cb 0.52 -1.54 0.01 0.00 0.53 0.00 0.00 43.42 42.95 1pkk n LEU 70 CO 0.50 -1.22 -0.09 0.59 -1.11 0.00 0.00 177.39 176.06 1pkk n ASN 71 N -2.34 -5.52 0.01 1.96 3.02 -1.26 -4.83 115.26 106.29 1pkk n ASN 71 Ca 0.15 -0.19 0.12 0.00 -0.03 0.00 0.00 54.58 54.63 1pkk n ASN 71 Cb 0.49 -4.52 0.50 0.00 -0.61 0.00 0.00 39.78 35.64 1pkk n ASN 71 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1pkk n TYR 72 N -4.20 0.06 -3.33 3.10 9.36 -1.13 -4.93 117.16 116.09 1pkk n TYR 72 Ca -0.14 0.02 -0.14 0.00 3.32 0.00 0.00 57.90 60.96 1pkk n TYR 72 Cb 0.63 -0.53 0.03 0.00 -0.63 0.00 0.00 39.34 38.83 1pkk n TYR 72 CO 0.00 0.00 0.00 0.09 0.22 0.00 0.00 176.86 177.17 1pkk n ASN 73 N -1.55 -6.61 -4.71 2.98 5.03 -1.26 -4.94 115.26 104.20 1pkk n ASN 73 Ca 0.06 -0.56 -0.42 0.00 0.87 0.00 0.00 54.58 54.52 1pkk n ASN 73 Cb 0.28 -4.47 -0.03 0.00 -1.02 0.00 0.00 39.78 34.55 1pkk n ASN 73 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1pkk s LEU 74 N -5.06 4.36 0.33 3.41 1.43 -1.26 -5.04 118.68 116.86 1pkk s LEU 74 Ca 0.24 1.70 0.09 0.00 -1.03 0.00 0.00 54.13 55.14 1pkk s LEU 74 Cb -0.06 -3.57 -0.05 0.00 0.03 0.00 0.00 46.19 42.54 1pkk s LEU 74 CO 0.79 -0.31 -0.01 0.42 0.23 0.00 0.00 176.35 177.47 1pkk s THR 75 N 1.10 2.62 0.34 5.49 -4.23 -1.26 -5.00 115.64 114.70 1pkk s THR 75 Ca 0.53 -2.02 0.06 0.00 -1.18 0.00 0.00 61.69 59.07 1pkk s THR 75 Cb -0.22 -2.75 0.30 0.00 1.34 0.00 0.00 72.50 71.17 1pkk s THR 75 CO 0.27 -0.22 1.89 -0.08 -0.54 0.00 0.00 174.62 175.95 1pkk h GLU 76 N 1.87 0.77 -0.21 3.99 4.81 -1.99 -0.23 114.58 123.59 1pkk h GLU 76 Ca -0.43 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 58.73 1pkk h GLU 76 Cb 1.25 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 30.45 1pkk h GLU 76 CO 0.66 0.51 0.02 0.93 -0.73 0.00 0.00 179.01 180.40 1pkk h GLU 77 N 0.80 0.36 -0.63 1.92 3.07 -1.99 -2.40 114.58 115.70 1pkk h GLU 77 Ca 0.41 -0.10 -0.04 0.00 -0.50 0.00 0.00 59.36 59.12 1pkk h GLU 77 Cb 0.50 -0.04 -0.03 0.00 -0.84 0.00 0.00 28.75 28.34 1pkk h GLU 77 CO -0.18 0.53 0.22 -0.22 -1.40 0.00 0.00 179.01 177.96 1pkk h LYS 78 N 0.13 0.93 -0.10 2.33 1.63 -1.72 -1.19 116.57 118.59 1pkk h LYS 78 Ca 0.06 -0.17 -0.01 0.00 -0.85 0.00 0.00 60.65 59.69 1pkk h LYS 78 Cb 0.36 -0.15 -0.00 0.00 -0.60 0.00 0.00 32.23 31.83 1pkk h LYS 78 CO 0.01 0.79 0.04 0.82 -3.45 0.00 0.00 179.45 177.65 1pkk h ILE 79 N 0.91 1.15 0.00 2.00 2.04 -0.96 -0.78 117.51 121.87 1pkk h ILE 79 Ca 0.21 -0.46 -0.06 0.00 1.00 0.00 0.00 64.86 65.56 1pkk h ILE 79 Cb 0.23 1.26 -0.01 0.00 -0.74 0.00 0.00 36.82 37.56 1pkk h ILE 79 CO -0.01 0.13 -0.27 0.78 0.00 0.00 0.00 178.15 178.79 1pkk h ASN 80 N 0.01 0.00 -0.42 1.72 2.35 -1.27 0.13 115.58 118.10 1pkk h ASN 80 Ca 0.03 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.70 1pkk h ASN 80 Cb 0.18 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.53 1pkk h ASN 80 CO -0.00 0.27 -0.06 0.22 -1.65 0.00 0.00 177.43 176.20 1pkk h TYR 81 N 0.00 0.87 -0.07 1.19 5.03 -0.79 -1.89 116.97 121.31 1pkk h TYR 81 Ca -0.00 -0.18 -0.05 0.00 2.58 0.00 0.00 58.73 61.08 1pkk h TYR 81 Cb 0.50 -0.22 0.00 0.00 1.55 0.00 0.00 36.73 38.56 1pkk h TYR 81 CO 0.00 0.89 -0.15 0.74 -1.32 0.00 0.00 178.16 178.32 1pkk h PHE 82 N 0.61 0.29 -0.77 -3.82 0.05 -0.63 -1.75 116.94 110.91 1pkk h PHE 82 Ca 0.11 -0.11 0.06 0.00 3.82 0.00 0.00 57.97 61.86 1pkk h PHE 82 Cb 0.58 -0.05 -0.05 0.00 2.00 0.00 0.00 35.95 38.43 1pkk h PHE 82 CO 0.05 0.75 0.51 0.87 -0.18 0.00 0.00 178.31 180.30 1pkk h LYS 83 N -0.25 0.81 0.12 1.51 1.57 -0.99 0.17 116.57 119.50 1pkk h LYS 83 Ca 0.00 -0.05 -0.20 0.00 -1.87 0.00 0.00 60.65 58.53 1pkk h LYS 83 Cb 0.73 -0.18 0.02 0.00 0.08 0.00 0.00 32.23 32.88 1pkk h LYS 83 CO 0.03 0.53 -0.85 1.49 -0.57 0.00 0.00 179.45 180.08 1pkk h GLU 84 N 0.83 0.37 -0.12 3.15 4.81 -1.37 -1.47 114.58 120.78 1pkk h GLU 84 Ca 0.33 -0.56 -0.19 0.00 -0.13 0.00 0.00 59.36 58.82 1pkk h GLU 84 Cb 0.24 0.20 -0.00 0.00 0.63 0.00 0.00 28.75 29.81 1pkk h GLU 84 CO -0.12 1.24 -0.69 -0.22 -0.73 0.00 0.00 179.01 178.49 1pkk h LYS 85 N -0.22 0.53 -0.11 1.92 3.64 -1.05 -3.32 116.57 117.95 1pkk h LYS 85 Ca -0.14 -0.40 0.00 0.00 -1.27 0.00 0.00 60.65 58.84 1pkk h LYS 85 Cb 1.63 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 33.53 1pkk h LYS 85 CO 0.16 1.03 0.00 0.66 -2.27 0.00 0.00 179.45 179.03 1pkk n TYR 86 N -3.89 0.14 -3.87 1.91 4.01 0.58 -5.01 117.16 111.03 1pkk n TYR 86 Ca -0.05 -0.21 -0.28 0.00 -0.16 0.00 0.00 57.90 57.20 1pkk n TYR 86 Cb 0.69 -0.01 0.03 0.00 -0.31 0.00 0.00 39.34 39.73 1pkk n TYR 86 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 1pkk n ASN 87 N 0.36 -3.85 -4.87 7.72 5.15 -0.56 -4.97 115.26 114.23 1pkk n ASN 87 Ca 0.06 -0.80 -0.34 0.00 -0.60 0.00 0.00 54.58 52.91 1pkk n ASN 87 Cb 0.27 -3.89 -0.05 0.00 -0.53 0.00 0.00 39.78 35.58 1pkk n ASN 87 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 1pkk s VAL 88 N -3.40 5.09 0.10 3.44 -7.23 -1.19 -4.82 120.40 112.39 1pkk s VAL 88 Ca 0.50 0.36 -0.04 0.00 -1.81 0.00 0.00 61.98 60.99 1pkk s VAL 88 Cb -0.25 -3.64 -0.25 0.00 0.56 0.00 0.00 36.38 32.81 1pkk s VAL 88 CO 0.83 0.20 1.20 0.44 -0.31 0.00 0.00 175.10 177.46 1pkk h ASP 89 N 3.39 0.44 -4.88 4.85 3.32 -1.64 -3.41 116.42 118.49 1pkk h ASP 89 Ca -0.48 -0.43 -0.22 0.00 0.02 0.00 0.00 57.03 55.92 1pkk h ASP 89 Cb 1.18 -0.14 -0.20 0.00 0.22 0.00 0.00 39.33 40.39 1pkk h ASP 89 CO 0.68 1.30 -0.71 -0.31 -1.72 0.00 0.00 179.24 178.47 1pkk s TYR 90 N -2.86 0.50 -0.11 4.55 1.51 -1.20 -5.02 117.35 114.72 1pkk s TYR 90 Ca -0.04 -0.56 0.00 0.00 -1.01 0.00 0.00 57.07 55.45 1pkk s TYR 90 Cb 0.08 -0.32 0.02 0.00 -0.11 0.00 0.00 41.96 41.63 1pkk s TYR 90 CO 0.88 -0.15 -0.09 0.08 -1.11 0.00 0.00 175.55 175.16 1pkk s VAL 91 N -1.67 1.07 0.13 0.71 1.01 -1.26 -0.78 120.40 119.62 1pkk s VAL 91 Ca -0.11 -0.34 0.04 0.00 0.00 0.00 0.00 61.98 61.58 1pkk s VAL 91 Cb -0.08 -1.06 -0.04 0.00 0.00 0.00 0.00 36.38 35.19 1pkk s VAL 91 CO -0.01 0.37 -0.10 0.68 0.00 0.00 0.00 175.10 176.04 1pkk s VAL 92 N 1.51 1.08 0.07 2.92 -7.23 -0.32 -4.98 120.40 113.45 1pkk s VAL 92 Ca 0.01 -1.98 0.06 0.00 -1.81 0.00 0.00 61.98 58.26 1pkk s VAL 92 Cb -0.13 -1.75 -0.03 0.00 0.56 0.00 0.00 36.38 35.03 1pkk s VAL 92 CO -0.06 -0.73 -0.16 -1.83 -0.31 0.00 0.00 175.10 172.00 1pkk s GLU 93 N -3.60 0.95 2.10 4.82 -1.05 -1.26 0.01 118.70 120.66 1pkk s GLU 93 Ca 0.14 -0.98 0.00 0.00 -0.15 0.00 0.00 54.97 53.99 1pkk s GLU 93 Cb 0.02 -1.03 0.00 0.00 -0.44 0.00 0.00 34.13 32.68 1pkk s GLU 93 CO -0.00 0.24 0.00 0.41 0.95 0.00 0.00 175.26 176.86 1pkk n GLY 94 N 1.36 -1.26 3.76 -3.83 0.00 -0.36 -4.87 105.19 99.99 1pkk n GLY 94 Ca -0.20 -1.31 -0.40 0.00 0.00 0.00 0.00 46.02 44.11 1pkk n GLY 94 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1pkk s GLY 95 N 0.00 3.04 -0.01 -0.02 0.00 -1.26 -4.71 107.32 104.36 1pkk s GLY 95 Ca 0.00 0.76 0.00 0.00 0.00 0.00 0.00 44.72 45.49 1pkk s GLY 95 CO 0.00 1.33 0.00 0.54 0.00 0.00 0.00 173.10 174.97 1pkk s VAL 96 N -1.24 0.05 -0.00 1.40 0.11 -0.87 -4.79 120.40 115.05 1pkk s VAL 96 Ca 0.45 0.04 -0.20 0.00 -2.93 0.00 0.00 61.98 59.34 1pkk s VAL 96 Cb -0.28 -0.09 -0.05 0.00 -1.53 0.00 0.00 36.38 34.42 1pkk s VAL 96 CO 0.36 0.05 0.56 -0.76 -3.33 0.00 0.00 175.10 171.98 1pkk s LEU 97 N 0.35 4.43 0.00 2.54 1.43 -0.27 -1.30 118.68 125.86 1pkk s LEU 97 Ca -0.03 1.13 0.02 0.00 -1.03 0.00 0.00 54.13 54.22 1pkk s LEU 97 Cb -0.05 -2.87 -0.01 0.00 0.03 0.00 0.00 46.19 43.30 1pkk s LEU 97 CO -0.01 0.14 0.07 0.61 0.23 0.00 0.00 176.35 177.39 1pkk n GLY 98 N 2.34 3.65 3.23 -3.19 0.00 0.33 -0.57 105.19 110.98 1pkk n GLY 98 Ca -0.08 -2.08 -0.12 0.00 0.00 0.00 0.00 46.02 43.74 1pkk n GLY 98 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1pkk s THR 99 N -2.35 0.07 0.58 2.61 -1.32 -1.26 -0.70 115.64 113.28 1pkk s THR 99 Ca 0.10 -0.60 -0.11 0.00 -1.21 0.00 0.00 61.69 59.87 1pkk s THR 99 Cb 0.00 -0.76 -0.05 0.00 -1.51 0.00 0.00 72.50 70.19 1pkk s THR 99 CO 0.07 -0.33 0.99 0.42 -2.21 0.00 0.00 174.62 173.55 1pkk s THR 100 N -1.91 4.71 0.13 5.08 -4.23 -0.62 -0.33 115.64 118.47 1pkk s THR 100 Ca -0.10 0.84 0.01 0.00 -1.18 0.00 0.00 61.69 61.26 1pkk s THR 100 Cb -0.03 -3.84 -0.20 0.00 1.34 0.00 0.00 72.50 69.76 1pkk s THR 100 CO 0.01 -1.03 1.29 0.78 -0.54 0.00 0.00 174.62 175.12 1pkk h ASN 101 N -0.03 0.29 -3.54 3.99 -0.26 -1.37 -3.42 115.58 111.24 1pkk h ASN 101 Ca -0.45 -0.27 -0.52 0.00 -0.56 0.00 0.00 56.30 54.51 1pkk h ASN 101 Cb 1.19 -0.09 0.02 0.00 -1.06 0.00 0.00 38.32 38.38 1pkk h ASN 101 CO 0.62 1.13 0.55 -1.61 -1.06 0.00 0.00 177.43 177.05 1pkk s GLU 102 N -2.98 4.51 -0.12 0.81 8.01 -1.26 -4.58 118.70 123.09 1pkk s GLU 102 Ca -0.03 1.87 -0.03 0.00 0.01 0.00 0.00 54.97 56.80 1pkk s GLU 102 Cb 0.09 -3.23 -0.03 0.00 -4.31 0.00 0.00 34.13 26.65 1pkk s GLU 102 CO 0.85 -0.05 -0.02 -0.47 0.01 0.00 0.00 175.26 175.57 1pkk s TYR 103 N -0.22 3.08 0.18 1.61 6.14 0.73 -4.03 117.35 124.83 1pkk s TYR 103 Ca 0.52 -0.03 0.06 0.00 0.64 0.00 0.00 57.07 58.25 1pkk s TYR 103 Cb -0.33 -1.87 -0.05 0.00 0.42 0.00 0.00 41.96 40.14 1pkk s TYR 103 CO 0.38 0.22 -0.12 0.96 0.64 0.00 0.00 175.55 177.63 1pkk s ILE 104 N -0.28 1.47 -0.04 3.14 -4.36 0.10 -0.79 121.20 120.44 1pkk s ILE 104 Ca 0.05 -2.13 0.00 0.00 -0.26 0.00 0.00 60.65 58.31 1pkk s ILE 104 Cb -0.12 -1.94 0.03 0.00 1.25 0.00 0.00 42.46 41.67 1pkk s ILE 104 CO 0.02 -0.66 -0.01 -1.61 0.24 0.00 0.00 174.94 172.92 1pkk s GLU 105 N -3.66 0.50 -0.09 0.37 2.02 -0.80 -0.56 118.70 116.48 1pkk s GLU 105 Ca 0.19 0.04 -0.02 0.00 0.02 0.00 0.00 54.97 55.21 1pkk s GLU 105 Cb 0.01 -0.68 -0.03 0.00 0.10 0.00 0.00 34.13 33.52 1pkk s GLU 105 CO 0.04 -0.16 -0.00 -0.51 0.02 0.00 0.00 175.26 174.65 1pkk s LEU 106 N 1.21 3.54 1.02 1.80 1.43 0.26 -1.66 118.68 126.27 1pkk s LEU 106 Ca -0.07 0.12 -0.16 0.00 -1.03 0.00 0.00 54.13 52.99 1pkk s LEU 106 Cb -0.13 -1.81 0.21 0.00 0.03 0.00 0.00 46.19 44.49 1pkk s LEU 106 CO -0.02 0.37 1.24 -2.16 0.23 0.00 0.00 176.35 176.01 1pkk s PRO 107 N -0.82 0.24 0.00 1.29 0.04 -1.24 -1.87 135.00 132.64 1pkk s PRO 107 Ca 0.12 -0.23 0.23 0.00 0.04 0.00 0.00 61.00 61.17 1pkk s PRO 107 Cb -0.11 -1.78 1.39 0.00 0.04 0.00 0.00 34.50 34.03 1pkk s PRO 107 CO 0.02 -2.71 1.85 0.27 0.04 0.00 0.00 177.00 176.47 1pkk n ASN 108 N -4.02 0.00 -0.06 6.66 6.94 -1.26 -2.58 115.26 120.94 1pkk n ASN 108 Ca 0.14 -1.13 0.07 0.00 -0.02 0.00 0.00 54.58 53.64 1pkk n ASN 108 Cb 0.59 0.00 0.10 0.00 -2.36 0.00 0.00 39.78 38.12 1pkk n ASN 108 CO 0.00 0.00 0.00 -0.90 -1.03 0.00 0.00 177.26 175.33 1pkk n ASP 109 N -0.89 2.22 -3.86 0.53 5.75 -1.26 -0.63 116.55 118.40 1pkk n ASP 109 Ca 0.17 -2.81 -0.15 0.00 -0.01 0.00 0.00 54.79 52.00 1pkk n ASP 109 Cb 0.08 -0.32 -0.15 0.00 -1.03 0.00 0.00 41.12 39.69 1pkk n ASP 109 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 1pkk s ILE 110 N -2.38 0.15 0.11 2.12 -1.09 -1.19 -1.65 121.20 117.27 1pkk s ILE 110 Ca 0.24 0.01 0.10 0.00 -2.23 0.00 0.00 60.65 58.77 1pkk s ILE 110 Cb 0.21 -0.19 -0.04 0.00 -1.58 0.00 0.00 42.46 40.86 1pkk s ILE 110 CO 0.02 0.09 -0.26 -0.55 -1.23 0.00 0.00 174.94 173.01 1pkk s SER 111 N 0.48 3.16 0.08 3.58 0.15 -0.49 -3.79 113.70 116.87 1pkk s SER 111 Ca -0.05 -0.72 0.06 0.00 0.70 0.00 0.00 55.95 55.95 1pkk s SER 111 Cb -0.07 -0.21 -0.03 0.00 -1.71 0.00 0.00 66.02 63.99 1pkk s SER 111 CO -0.01 0.17 -0.17 0.00 1.20 0.00 0.00 173.24 174.43 1pkk s ALA 112 N -1.04 1.43 -0.08 5.45 0.00 -1.14 -0.45 121.76 125.92 1pkk s ALA 112 Ca 0.12 -1.10 0.04 0.00 0.00 0.00 0.00 51.96 51.02 1pkk s ALA 112 Cb -0.10 -0.15 -0.00 0.00 0.00 0.00 0.00 23.12 22.87 1pkk s ALA 112 CO 0.05 0.24 -0.22 -1.14 0.00 0.00 0.00 175.76 174.69 1pkk s GLN 113 N -1.84 2.59 -0.12 0.00 0.74 0.38 0.14 119.66 121.56 1pkk s GLN 113 Ca 0.02 -0.80 -0.09 0.00 0.05 0.00 0.00 55.36 54.54 1pkk s GLN 113 Cb -0.10 -2.06 -0.04 0.00 1.10 0.00 0.00 33.01 31.91 1pkk s GLN 113 CO 0.03 0.22 0.18 -0.47 -0.55 0.00 0.00 175.29 174.70 1pkk s TYR 114 N 0.21 3.59 0.00 1.67 5.04 -0.40 -0.89 117.35 126.57 1pkk s TYR 114 Ca -0.12 0.57 0.00 0.00 -2.44 0.00 0.00 57.07 55.08 1pkk s TYR 114 Cb -0.16 -2.03 -0.00 0.00 0.35 0.00 0.00 41.96 40.12 1pkk s TYR 114 CO 0.06 0.65 -0.02 1.14 -1.34 0.00 0.00 175.55 176.05 1pkk s GLN 115 N -0.80 0.13 0.52 4.97 -2.07 -0.51 -4.48 119.66 117.42 1pkk s GLN 115 Ca 0.15 -0.08 -0.21 0.00 -1.82 0.00 0.00 55.36 53.41 1pkk s GLN 115 Cb -0.13 -0.11 -0.06 0.00 -1.09 0.00 0.00 33.01 31.63 1pkk s GLN 115 CO 0.04 0.03 1.19 0.20 -1.32 0.00 0.00 175.29 175.43 1pkk s GLY 116 N -0.10 2.74 0.38 2.60 0.00 -1.26 -0.98 107.32 110.71 1pkk s GLY 116 Ca -0.00 0.96 -0.27 0.00 0.00 0.00 0.00 44.72 45.41 1pkk s GLY 116 CO -0.00 1.39 1.34 1.09 0.00 0.00 0.00 173.10 176.91 1pkk s ARG 117 N -3.02 4.07 0.31 2.90 1.70 -0.54 -4.79 118.95 119.58 1pkk s ARG 117 Ca 0.70 2.25 0.02 0.00 -0.47 0.00 0.00 55.73 58.24 1pkk s ARG 117 Cb -0.29 -2.86 0.59 0.00 -0.57 0.00 0.00 34.95 31.81 1pkk s ARG 117 CO 0.34 -0.44 1.91 0.77 -1.08 0.00 0.00 175.30 176.79 1pkk h SER 118 N 2.89 0.85 0.09 -2.89 0.02 -1.92 -1.31 113.55 111.28 1pkk h SER 118 Ca -0.50 0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 60.45 1pkk h SER 118 Cb 1.24 -0.17 -0.00 0.00 0.14 0.00 0.00 62.40 63.61 1pkk h SER 118 CO 0.63 0.53 -0.09 0.77 -1.14 0.00 0.00 176.83 177.53 1pkk h SER 119 N 0.96 0.01 0.50 3.07 4.64 -1.98 0.02 113.55 120.77 1pkk h SER 119 Ca 0.40 -0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 61.42 1pkk h SER 119 Cb 0.29 -0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.35 1pkk h SER 119 CO -0.16 0.11 -1.54 -0.07 -0.87 0.00 0.00 176.83 174.30 1pkk h LEU 120 N 0.01 0.26 -1.61 5.97 3.38 -1.66 -3.25 115.31 118.43 1pkk h LEU 120 Ca 0.00 -0.40 -0.02 0.00 0.09 0.00 0.00 57.88 57.56 1pkk h LEU 120 Cb 0.18 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1pkk h LEU 120 CO 0.01 1.34 0.06 1.23 0.09 0.00 0.00 178.44 181.17 1pkk h GLY 121 N 2.17 0.33 2.00 0.83 0.00 -0.61 -0.24 103.07 107.55 1pkk h GLY 121 Ca -0.24 -0.15 -0.00 0.00 0.00 0.00 0.00 47.33 46.94 1pkk h GLY 121 CO 0.13 0.15 -0.01 -0.09 0.00 0.00 0.00 176.54 176.72 1pkk h ARG 122 N 0.31 0.00 -0.22 4.80 2.43 -1.04 -0.26 114.38 120.40 1pkk h ARG 122 Ca 0.08 0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 59.18 1pkk h ARG 122 Cb 0.12 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.63 1pkk h ARG 122 CO -0.00 0.01 -0.07 1.33 -1.51 0.00 0.00 179.97 179.72 1pkk n VAL 123 N -3.14 2.31 -3.37 0.20 0.24 -0.24 -4.97 118.33 109.36 1pkk n VAL 123 Ca -0.02 -2.39 -0.24 0.00 -2.04 0.00 0.00 64.34 59.65 1pkk n VAL 123 Cb 0.13 -0.28 0.05 0.00 -1.47 0.00 0.00 33.84 32.28 1pkk n VAL 123 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 1pkk n PHE 124 N -0.97 -2.41 -4.43 6.34 3.72 -0.11 -4.74 117.46 114.87 1pkk n PHE 124 Ca 0.25 0.77 -0.33 0.00 -0.05 0.00 0.00 57.45 58.08 1pkk n PHE 124 Cb 0.88 -4.64 -0.15 0.00 -0.94 0.00 0.00 39.48 34.64 1pkk n PHE 124 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 176.76 175.54 1pkk s LEU 125 N -7.01 2.63 0.16 4.37 1.98 -0.42 -1.09 118.68 119.30 1pkk s LEU 125 Ca 0.47 -0.41 0.11 0.00 -2.89 0.00 0.00 54.13 51.40 1pkk s LEU 125 Cb -0.21 -1.62 -0.04 0.00 0.66 0.00 0.00 46.19 44.98 1pkk s LEU 125 CO 0.58 0.08 -0.25 0.42 -1.89 0.00 0.00 176.35 175.29 1pkk s THR 126 N 0.84 2.24 -0.09 3.68 -4.23 -0.31 -3.37 115.64 114.41 1pkk s THR 126 Ca -0.04 -1.87 0.13 0.00 -1.18 0.00 0.00 61.69 58.73 1pkk s THR 126 Cb -0.15 -2.02 0.20 0.00 1.34 0.00 0.00 72.50 71.87 1pkk s THR 126 CO 0.00 -0.03 1.09 -1.54 -0.54 0.00 0.00 174.62 173.60 1pkk n SER 127 N 0.60 2.12 -3.49 3.99 3.41 -1.24 -1.17 113.62 117.85 1pkk n SER 127 Ca -0.15 -2.73 0.02 0.00 -0.26 0.00 0.00 58.87 55.74 1pkk n SER 127 Cb 0.55 -0.30 -0.05 0.00 -0.26 0.00 0.00 64.21 64.14 1pkk n SER 127 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 1pkk s HIS 128 N -2.23 -0.29 -2.51 7.33 2.46 -0.59 -1.33 115.29 118.13 1pkk s HIS 128 Ca 0.22 0.55 0.22 0.00 0.47 0.00 0.00 55.06 56.52 1pkk s HIS 128 Cb 0.19 0.18 0.11 0.00 -0.13 0.00 0.00 32.58 32.93 1pkk s HIS 128 CO 0.02 -0.15 1.15 1.04 -2.47 0.00 0.00 174.74 174.34 1pkk n GLN 129 N 3.94 1.84 -4.10 2.88 3.00 -1.26 -4.86 117.38 118.82 1pkk n GLN 129 Ca -0.13 -1.53 -0.25 0.00 -0.01 0.00 0.00 57.00 55.08 1pkk n GLN 129 Cb 0.56 -1.44 -0.06 0.00 0.00 0.00 0.00 30.24 29.30 1pkk n GLN 129 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.06 178.01 1pkk s THR 130 N -2.06 2.20 0.36 5.09 -4.23 -1.26 -5.01 115.64 110.74 1pkk s THR 130 Ca 0.23 -1.67 0.14 0.00 -1.18 0.00 0.00 61.69 59.22 1pkk s THR 130 Cb 0.18 -2.87 0.36 0.00 1.34 0.00 0.00 72.50 71.51 1pkk s THR 130 CO 0.38 0.00 1.76 0.00 -0.54 0.00 0.00 174.62 176.22 1pkk h ALA 131 N 1.33 2.03 0.00 3.99 0.00 -1.93 -3.46 119.26 121.22 1pkk h ALA 131 Ca -0.42 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1pkk h ALA 131 Cb 1.26 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1pkk h ALA 131 CO 0.68 -0.45 0.00 0.41 0.00 0.00 0.00 179.25 179.89 1pkk n GLY 132 N -1.41 0.45 3.76 0.00 0.00 -1.26 -4.49 105.19 102.25 1pkk n GLY 132 Ca 0.25 -0.97 -0.40 0.00 0.00 0.00 0.00 46.02 44.90 1pkk n GLY 132 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1pkk s TRP 133 N -2.00 3.31 -0.08 1.61 0.52 -1.26 -1.27 118.94 119.76 1pkk s TRP 133 Ca 0.00 1.59 0.04 0.00 0.02 0.00 0.00 56.10 57.74 1pkk s TRP 133 Cb 0.00 -3.42 -0.01 0.00 -1.15 0.00 0.00 33.47 28.89 1pkk s TRP 133 CO 0.00 -1.09 -0.21 0.42 0.02 0.00 0.00 176.95 176.09 1pkk s ILE 134 N -1.22 2.42 0.50 2.03 1.01 0.37 -4.96 121.20 121.34 1pkk s ILE 134 Ca 0.49 -0.92 -0.23 0.00 0.00 0.00 0.00 60.65 59.99 1pkk s ILE 134 Cb -0.34 -1.93 -0.06 0.00 0.01 0.00 0.00 42.46 40.14 1pkk s ILE 134 CO 0.44 0.56 1.32 -1.81 0.00 0.00 0.00 174.94 175.44 1pkk s ASP 135 N -0.00 5.66 0.54 3.58 1.01 -1.26 -2.88 116.67 123.32 1pkk s ASP 135 Ca -0.07 2.67 -0.22 0.00 0.71 0.00 0.00 52.55 55.64 1pkk s ASP 135 Cb -0.15 -2.63 -0.05 0.00 1.01 0.00 0.00 42.92 41.10 1pkk s ASP 135 CO 0.05 -1.30 1.32 0.00 0.21 0.00 0.00 175.17 175.45 1pkk s ALA 136 N -1.34 2.82 0.00 5.23 0.00 -1.25 -1.95 121.76 125.27 1pkk s ALA 136 Ca 0.67 1.25 0.00 0.00 0.00 0.00 0.00 51.96 53.88 1pkk s ALA 136 Cb -0.38 -3.53 0.00 0.00 0.00 0.00 0.00 23.12 19.21 1pkk s ALA 136 CO 0.46 -1.26 0.00 0.41 0.00 0.00 0.00 175.76 175.37 1pkk n GLY 137 N 0.68 1.59 3.75 0.00 0.00 -0.78 -4.80 105.19 105.63 1pkk n GLY 137 Ca 0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.72 1pkk n GLY 137 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1pkk n PHE 138 N -2.00 2.65 -3.84 1.61 7.35 -0.82 -4.64 117.46 117.77 1pkk n PHE 138 Ca 0.00 0.45 -0.19 0.00 -0.76 0.00 0.00 57.45 56.95 1pkk n PHE 138 Cb 0.00 -2.46 -0.17 0.00 0.35 0.00 0.00 39.48 37.20 1pkk n PHE 138 CO 0.00 0.00 0.00 0.15 -0.76 0.00 0.00 176.76 176.15 1pkk s LYS 139 N -2.32 0.30 0.00 -4.13 1.02 -1.26 -0.57 119.74 112.77 1pkk s LYS 139 Ca 0.59 0.14 0.00 0.00 0.02 0.00 0.00 55.97 56.73 1pkk s LYS 139 Cb -0.47 -0.61 0.00 0.00 -0.52 0.00 0.00 37.83 36.24 1pkk s LYS 139 CO 0.59 -0.21 0.00 0.41 -0.92 0.00 0.00 175.35 175.22 1pkk n GLY 140 N 4.61 0.64 3.93 -3.33 0.00 0.28 -4.98 105.19 106.33 1pkk n GLY 140 Ca -0.17 -1.77 -0.26 0.00 0.00 0.00 0.00 46.02 43.82 1pkk n GLY 140 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pkk s LYS 141 N -1.31 2.41 -0.22 1.61 1.02 -1.26 -0.72 119.74 121.26 1pkk s LYS 141 Ca 0.00 -0.19 -0.12 0.00 0.02 0.00 0.00 55.97 55.68 1pkk s LYS 141 Cb 0.00 -2.20 -0.05 0.00 -0.52 0.00 0.00 37.83 35.06 1pkk s LYS 141 CO 0.00 -1.08 0.23 0.42 -0.92 0.00 0.00 175.35 173.99 1pkk s ILE 142 N -3.17 5.32 -0.03 2.17 1.01 -1.26 -4.93 121.20 120.31 1pkk s ILE 142 Ca 0.58 0.34 -0.29 0.00 0.00 0.00 0.00 60.65 61.28 1pkk s ILE 142 Cb -0.11 -3.56 -0.03 0.00 0.01 0.00 0.00 42.46 38.77 1pkk s ILE 142 CO 0.45 0.33 0.95 -0.89 0.00 0.00 0.00 174.94 175.79 1pkk s THR 143 N 1.01 4.87 -0.13 2.92 2.01 -1.26 -1.58 115.64 123.48 1pkk s THR 143 Ca 0.11 1.98 -0.04 0.00 0.31 0.00 0.00 61.69 64.05 1pkk s THR 143 Cb -0.13 -4.29 -0.04 0.00 0.01 0.00 0.00 72.50 68.05 1pkk s THR 143 CO 0.05 0.13 0.04 -0.76 -0.69 0.00 0.00 174.62 173.38 1pkk s LEU 144 N 1.23 3.74 -0.43 4.42 1.43 0.12 -4.96 118.68 124.23 1pkk s LEU 144 Ca 0.49 0.15 -0.06 0.00 -1.03 0.00 0.00 54.13 53.69 1pkk s LEU 144 Cb -0.20 -1.89 0.11 0.00 0.03 0.00 0.00 46.19 44.24 1pkk s LEU 144 CO 0.25 0.30 0.26 -1.61 0.23 0.00 0.00 176.35 175.78 1pkk s GLU 145 N -0.43 2.20 -0.22 1.70 8.01 -0.44 -0.51 118.70 129.01 1pkk s GLU 145 Ca 0.09 -1.79 -0.14 0.00 0.01 0.00 0.00 54.97 53.13 1pkk s GLU 145 Cb -0.12 -3.73 -0.04 0.00 -4.31 0.00 0.00 34.13 25.93 1pkk s GLU 145 CO 0.02 -1.12 0.34 0.42 0.01 0.00 0.00 175.26 174.93 1pkk s ILE 146 N 1.23 5.23 -0.07 -1.63 1.01 -0.42 -1.55 121.20 125.02 1pkk s ILE 146 Ca 0.07 0.57 -0.05 0.00 0.00 0.00 0.00 60.65 61.24 1pkk s ILE 146 Cb -0.24 -3.67 0.03 0.00 0.01 0.00 0.00 42.46 38.58 1pkk s ILE 146 CO -0.03 0.26 0.16 -0.69 0.00 0.00 0.00 174.94 174.65 1pkk s VAL 147 N 1.36 -0.02 -0.16 2.92 1.01 -0.32 -2.06 120.40 123.14 1pkk s VAL 147 Ca 0.16 0.08 -0.06 0.00 0.00 0.00 0.00 61.98 62.16 1pkk s VAL 147 Cb -0.15 -0.25 -0.04 0.00 0.00 0.00 0.00 36.38 35.95 1pkk s VAL 147 CO 0.07 0.03 0.03 0.00 0.00 0.00 0.00 175.10 175.24 1pkk s ALA 148 N 0.61 3.31 -1.26 5.51 0.00 -1.26 -1.16 121.76 127.52 1pkk s ALA 148 Ca -0.04 -0.77 0.12 0.00 0.00 0.00 0.00 51.96 51.27 1pkk s ALA 148 Cb -0.06 -1.76 0.25 0.00 0.00 0.00 0.00 23.12 21.56 1pkk s ALA 148 CO -0.03 0.28 1.14 1.19 0.00 0.00 0.00 175.76 178.35 1pkk n PHE 149 N 3.21 0.33 0.02 0.00 3.01 -0.25 -4.03 117.46 119.75 1pkk n PHE 149 Ca -0.17 -0.31 0.00 0.00 1.01 0.00 0.00 57.45 57.98 1pkk n PHE 149 Cb 0.53 -0.01 0.00 0.00 -0.01 0.00 0.00 39.48 39.98 1pkk n PHE 149 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1pkk n ASP 150 N 0.68 0.03 -4.27 4.37 2.03 -1.26 -5.05 116.55 113.08 1pkk n ASP 150 Ca 0.11 0.07 -0.15 0.00 0.52 0.00 0.00 54.79 55.34 1pkk n ASP 150 Cb 0.40 0.04 -0.10 0.00 -0.72 0.00 0.00 41.12 40.74 1pkk n ASP 150 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1pkk s LYS 151 N -1.18 1.19 0.44 -0.67 -0.14 -1.26 -4.86 119.74 113.27 1pkk s LYS 151 Ca 0.00 -1.58 -0.26 0.00 -1.36 0.00 0.00 55.97 52.77 1pkk s LYS 151 Cb 0.00 -0.41 -0.09 0.00 -1.68 0.00 0.00 37.83 35.66 1pkk s LYS 151 CO 0.00 -0.11 1.43 -2.30 -0.76 0.00 0.00 175.35 173.61 1pkk n PRO 152 N -0.30 2.28 -4.93 -1.68 -0.02 -1.26 -4.62 135.00 124.47 1pkk n PRO 152 Ca -0.06 0.81 -0.27 0.00 -2.02 0.00 0.00 63.50 61.96 1pkk n PRO 152 Cb 0.63 -2.62 -0.16 0.00 -0.02 0.00 0.00 33.50 31.33 1pkk n PRO 152 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1pkk s VAL 153 N -1.18 1.56 -0.13 -1.45 1.01 -0.14 -4.93 120.40 115.14 1pkk s VAL 153 Ca 0.60 -0.80 -0.21 0.00 0.00 0.00 0.00 61.98 61.58 1pkk s VAL 153 Cb -0.45 -1.33 -0.03 0.00 0.00 0.00 0.00 36.38 34.56 1pkk s VAL 153 CO 0.58 0.45 0.60 -0.63 0.00 0.00 0.00 175.10 176.09 1pkk s ILE 154 N -0.08 5.09 -0.00 2.22 1.01 -1.26 -1.14 121.20 127.04 1pkk s ILE 154 Ca -0.02 1.18 0.07 0.00 0.00 0.00 0.00 60.65 61.88 1pkk s ILE 154 Cb -0.11 -3.93 -0.03 0.00 0.01 0.00 0.00 42.46 38.40 1pkk s ILE 154 CO 0.02 0.23 -0.21 -0.76 0.00 0.00 0.00 174.94 174.22 1pkk s LEU 155 N 1.11 2.41 -0.00 2.97 1.43 -0.31 -4.99 118.68 121.31 1pkk s LEU 155 Ca 0.30 -0.40 0.04 0.00 -1.03 0.00 0.00 54.13 53.05 1pkk s LEU 155 Cb -0.16 -1.44 -0.03 0.00 0.03 0.00 0.00 46.19 44.58 1pkk s LEU 155 CO 0.13 0.30 -0.11 -0.31 0.23 0.00 0.00 176.35 176.58 1pkk s TYR 156 N -0.76 2.76 0.32 0.29 1.51 -1.26 -1.51 117.35 118.70 1pkk s TYR 156 Ca 0.12 -0.12 -0.29 0.00 -1.01 0.00 0.00 57.07 55.77 1pkk s TYR 156 Cb -0.10 -1.58 -0.12 0.00 -0.11 0.00 0.00 41.96 40.05 1pkk s TYR 156 CO 0.02 0.30 1.39 1.17 -1.11 0.00 0.00 175.55 177.32 1pkk n LYS 157 N 1.75 2.30 -0.80 -0.62 4.81 0.47 -2.12 118.16 123.95 1pkk n LYS 157 Ca -0.16 0.81 0.00 0.00 -0.87 0.00 0.00 58.31 58.09 1pkk n LYS 157 Cb 0.52 -2.46 0.00 0.00 0.02 0.00 0.00 35.03 33.11 1pkk n LYS 157 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1pkk n ASN 158 N 1.17 -0.81 -4.79 3.14 5.03 0.11 -4.97 115.26 114.14 1pkk n ASN 158 Ca 0.06 0.00 -0.33 0.00 0.87 0.00 0.00 54.58 55.18 1pkk n ASN 158 Cb 0.36 -1.36 0.03 0.00 -1.02 0.00 0.00 39.78 37.78 1pkk n ASN 158 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1pkk s GLN 159 N -0.58 3.10 0.12 3.52 -2.07 -0.90 -4.50 119.66 118.35 1pkk s GLN 159 Ca 0.00 1.25 -0.31 0.00 -1.82 0.00 0.00 55.36 54.48 1pkk s GLN 159 Cb 0.00 -2.00 -0.08 0.00 -1.09 0.00 0.00 33.01 29.84 1pkk s GLN 159 CO 0.00 -0.99 1.41 1.03 -1.32 0.00 0.00 175.29 175.42 1pkk s ARG 160 N -4.16 4.31 -0.02 9.60 0.52 -1.26 -1.18 118.95 126.76 1pkk s ARG 160 Ca 0.64 2.10 0.05 0.00 -0.52 0.00 0.00 55.73 58.00 1pkk s ARG 160 Cb -0.17 -3.25 -0.07 0.00 0.52 0.00 0.00 34.95 31.97 1pkk s ARG 160 CO 0.40 -0.46 0.08 1.51 0.02 0.00 0.00 175.30 176.85 1pkk n ILE 161 N 3.97 0.10 -2.87 1.52 0.13 -0.38 -4.88 119.36 116.96 1pkk n ILE 161 Ca 0.12 -0.14 0.00 0.00 -1.10 0.00 0.00 62.75 61.62 1pkk n ILE 161 Cb 0.42 -0.02 0.00 0.00 -0.84 0.00 0.00 39.64 39.20 1pkk n ILE 161 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 1pkk n GLY 162 N 2.37 1.67 3.10 4.50 0.00 -1.20 -1.47 105.19 114.15 1pkk n GLY 162 Ca -0.03 -0.78 -0.11 0.00 0.00 0.00 0.00 46.02 45.10 1pkk n GLY 162 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1pkk s GLN 163 N -0.23 0.48 -0.15 1.61 1.11 -0.15 -1.53 119.66 120.80 1pkk s GLN 163 Ca 0.00 -0.42 -0.05 0.00 0.01 0.00 0.00 55.36 54.90 1pkk s GLN 163 Cb 0.00 0.20 -0.03 0.00 -1.01 0.00 0.00 33.01 32.16 1pkk s GLN 163 CO 0.00 -0.11 0.02 -0.51 0.01 0.00 0.00 175.29 174.69 1pkk s LEU 164 N -1.41 3.58 -0.17 2.90 1.43 0.40 -1.42 118.68 123.99 1pkk s LEU 164 Ca -0.15 0.03 -0.02 0.00 -1.03 0.00 0.00 54.13 52.97 1pkk s LEU 164 Cb -0.08 -1.87 -0.01 0.00 0.03 0.00 0.00 46.19 44.26 1pkk s LEU 164 CO 0.01 0.22 -0.10 -0.63 0.23 0.00 0.00 176.35 176.09 1pkk s ILE 165 N 0.07 3.11 -0.16 -0.59 1.09 -0.07 -0.73 121.20 123.93 1pkk s ILE 165 Ca 0.03 -0.61 -0.07 0.00 -1.10 0.00 0.00 60.65 58.90 1pkk s ILE 165 Cb -0.13 -2.36 -0.04 0.00 -1.06 0.00 0.00 42.46 38.88 1pkk s ILE 165 CO 0.02 0.49 0.08 -0.36 -0.10 0.00 0.00 174.94 175.06 1pkk s PHE 166 N 0.88 3.32 0.02 3.97 0.08 -1.26 -0.47 117.98 124.52 1pkk s PHE 166 Ca -0.03 0.20 0.07 0.00 0.12 0.00 0.00 56.93 57.30 1pkk s PHE 166 Cb -0.15 -2.03 -0.02 0.00 -0.57 0.00 0.00 43.02 40.25 1pkk s PHE 166 CO 0.00 0.31 -0.22 0.45 -0.10 0.00 0.00 175.22 175.67 1pkk s SER 167 N -0.04 2.58 0.44 1.36 0.15 0.40 -0.53 113.70 118.06 1pkk s SER 167 Ca 0.07 -0.48 -0.21 0.00 0.70 0.00 0.00 55.95 56.02 1pkk s SER 167 Cb -0.12 -0.24 -0.10 0.00 -1.71 0.00 0.00 66.02 63.85 1pkk s SER 167 CO 0.01 0.21 0.98 -0.54 1.20 0.00 0.00 173.24 175.09 1pkk s LYS 168 N -0.95 4.12 0.23 5.44 -0.14 -0.50 -1.40 119.74 126.54 1pkk s LYS 168 Ca 0.08 1.21 -0.04 0.00 -1.36 0.00 0.00 55.97 55.87 1pkk s LYS 168 Cb -0.09 -2.20 -0.05 0.00 -1.68 0.00 0.00 37.83 33.81 1pkk s LYS 168 CO 0.01 -0.13 0.48 -0.51 -0.76 0.00 0.00 175.35 174.43 1pkk s LEU 169 N -3.19 4.15 0.40 3.17 1.43 -0.66 -4.51 118.68 119.46 1pkk s LEU 169 Ca 0.63 0.62 0.13 0.00 -1.03 0.00 0.00 54.13 54.47 1pkk s LEU 169 Cb -0.12 -3.40 0.82 0.00 0.03 0.00 0.00 46.19 43.52 1pkk s LEU 169 CO 0.16 -0.10 1.89 0.25 0.23 0.00 0.00 176.35 178.78 1pkk h LEU 170 N 2.04 0.04 -7.83 1.79 5.85 -1.97 -3.45 115.31 111.78 1pkk h LEU 170 Ca -0.47 -0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.15 1pkk h LEU 170 Cb 1.18 -0.01 -0.13 0.00 0.37 0.00 0.00 40.66 42.07 1pkk h LEU 170 CO 0.68 0.31 -0.31 -0.44 -0.34 0.00 0.00 178.44 178.34 1pkk s SER 171 N -6.95 0.04 0.32 1.25 0.01 -1.26 -5.14 113.70 101.98 1pkk s SER 171 Ca -0.04 -0.67 -0.29 0.00 1.31 0.00 0.00 55.95 56.27 1pkk s SER 171 Cb 0.15 0.39 -0.10 0.00 0.21 0.00 0.00 66.02 66.66 1pkk s SER 171 CO 0.72 -0.80 1.36 -2.16 0.41 0.00 0.00 173.24 172.77 1pkk s PRO 172 N -3.88 4.30 0.18 12.44 0.04 -1.26 -4.82 135.00 141.99 1pkk s PRO 172 Ca 0.08 2.29 0.03 0.00 0.04 0.00 0.00 61.00 63.45 1pkk s PRO 172 Cb 0.04 -3.06 -0.03 0.00 0.04 0.00 0.00 34.50 31.49 1pkk s PRO 172 CO -0.08 -0.29 0.31 0.00 0.04 0.00 0.00 177.00 176.98 1pkk s ALA 173 N -0.93 3.95 -0.44 8.56 0.00 0.19 -5.02 121.76 128.08 1pkk s ALA 173 Ca 0.51 -1.10 -0.23 0.00 0.00 0.00 0.00 51.96 51.14 1pkk s ALA 173 Cb -0.41 -1.76 0.02 0.00 0.00 0.00 0.00 23.12 20.97 1pkk s ALA 173 CO 0.53 0.43 0.78 0.34 0.00 0.00 0.00 175.76 177.84 1pkk s ASP 174 N -3.50 6.42 0.00 0.00 3.68 -1.26 -4.84 116.67 117.17 1pkk s ASP 174 Ca 0.34 -0.08 0.16 0.00 2.13 0.00 0.00 52.55 55.10 1pkk s ASP 174 Cb -0.10 -2.38 0.94 0.00 -1.45 0.00 0.00 42.92 39.92 1pkk s ASP 174 CO 0.29 -0.89 1.42 1.33 0.13 0.00 0.00 175.17 177.44 1pkk n VAL 175 N 6.09 0.16 0.00 1.11 0.24 -1.26 -4.82 118.33 119.85 1pkk n VAL 175 Ca 0.02 0.04 0.00 0.00 -2.04 0.00 0.00 64.34 62.36 1pkk n VAL 175 Cb 0.48 -0.78 0.00 0.00 -1.47 0.00 0.00 33.84 32.07 1pkk n VAL 175 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1pkk n GLY 176 N 0.05 1.84 3.51 7.63 0.00 -1.26 -4.97 105.19 112.00 1pkk n GLY 176 Ca 0.11 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.03 1pkk n GLY 176 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1pkk s TYR 177 N -1.84 -0.28 0.02 1.61 1.13 -1.26 -5.17 117.35 111.56 1pkk s TYR 177 Ca 0.00 -0.03 0.02 0.00 -1.41 0.00 0.00 57.07 55.65 1pkk s TYR 177 Cb 0.00 0.48 -0.02 0.00 -1.10 0.00 0.00 41.96 41.32 1pkk s TYR 177 CO 0.00 -0.92 -0.07 -1.54 -2.51 0.00 0.00 175.55 170.51 1pkk s SER 178 N -2.83 0.78 0.02 -0.18 1.04 -1.26 -5.09 113.70 106.18 1pkk s SER 178 Ca 0.06 -0.38 0.04 0.00 0.48 0.00 0.00 55.95 56.15 1pkk s SER 178 Cb -0.01 -0.01 -0.02 0.00 0.10 0.00 0.00 66.02 66.08 1pkk s SER 178 CO -0.06 -0.10 -0.13 -1.61 0.98 0.00 0.00 173.24 172.32 1pkk s GLU 179 N -1.03 0.98 0.00 4.02 2.02 -1.26 -5.14 118.70 118.29 1pkk s GLU 179 Ca -0.05 -0.62 0.00 0.00 0.02 0.00 0.00 54.97 54.31 1pkk s GLU 179 Cb -0.07 -0.97 0.00 0.00 0.10 0.00 0.00 34.13 33.19 1pkk s GLU 179 CO 0.00 0.25 0.00 0.54 0.02 0.00 0.00 175.26 176.07 1pkk n ARG 180 N 2.29 1.84 -3.73 1.61 3.00 -1.26 -5.19 116.66 115.22 1pkk n ARG 180 Ca -0.16 0.00 -0.12 0.00 -0.01 0.00 0.00 57.85 57.56 1pkk n ARG 180 Cb 0.55 0.00 -0.01 0.00 0.00 0.00 0.00 32.46 33.00 1pkk n ARG 180 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.63 177.99 1pkk n LYS 181 N 0.00 0.78 0.00 5.56 2.85 -1.26 -5.38 118.16 120.71 1pkk n LYS 181 Ca 0.00 -2.43 0.00 0.00 -1.05 0.00 0.00 58.31 54.84 1pkk n LYS 181 Cb 0.00 2.53 0.03 0.00 -0.65 0.00 0.00 35.03 36.93 1pkk n LYS 181 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 177.40 179.76