#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 4.98 0.24 2.02 1.01 -1.26 -0.97 121.20 127.22 1pkk s ILE 2 Ca 0.00 1.00 -0.30 0.00 0.00 0.00 0.00 60.65 61.36 1pkk s ILE 2 Cb 0.00 -3.81 -0.09 0.00 0.01 0.00 0.00 42.46 38.57 1pkk s ILE 2 CO 0.00 0.50 1.20 -0.76 0.00 0.00 0.00 174.94 175.87 1pkk s LEU 3 N -0.60 4.48 0.71 2.97 1.02 -0.09 -4.98 118.68 122.18 1pkk s LEU 3 Ca 0.26 2.34 -0.02 0.00 0.02 0.00 0.00 54.13 56.73 1pkk s LEU 3 Cb -0.17 -3.62 0.11 0.00 0.02 0.00 0.00 46.19 42.53 1pkk s LEU 3 CO 0.14 -0.34 0.98 -0.94 0.02 0.00 0.00 176.35 176.22 1pkk s SER 4 N -0.29 4.46 0.23 2.29 1.04 -1.26 -4.48 113.70 115.69 1pkk s SER 4 Ca 0.50 -0.18 -0.07 0.00 0.48 0.00 0.00 55.95 56.68 1pkk s SER 4 Cb -0.34 -0.28 0.40 0.00 0.10 0.00 0.00 66.02 65.90 1pkk s SER 4 CO 0.41 -1.78 1.69 -2.24 0.98 0.00 0.00 173.24 172.30 1pkk h ASP 5 N -0.51 -0.03 -0.97 7.02 3.04 -1.01 -0.33 116.42 123.63 1pkk h ASP 5 Ca -0.39 0.14 -0.00 0.00 -3.24 0.00 0.00 57.03 53.54 1pkk h ASP 5 Cb 1.27 0.20 -0.05 0.00 -1.04 0.00 0.00 39.33 39.71 1pkk h ASP 5 CO 0.44 -0.04 0.60 0.11 -2.04 0.00 0.00 179.24 178.32 1pkk h LYS 6 N 0.25 1.30 -0.26 4.15 1.57 -1.90 -1.27 116.57 120.41 1pkk h LYS 6 Ca 0.38 -0.10 -0.08 0.00 -1.87 0.00 0.00 60.65 58.97 1pkk h LYS 6 Cb 0.63 -0.28 -0.01 0.00 0.08 0.00 0.00 32.23 32.65 1pkk h LYS 6 CO -0.49 0.89 -0.16 -0.44 -0.57 0.00 0.00 179.45 178.68 1pkk h ASP 7 N 1.32 0.59 -0.14 0.86 3.32 -1.53 -1.76 116.42 119.10 1pkk h ASP 7 Ca 0.35 -0.43 0.03 0.00 0.02 0.00 0.00 57.03 57.00 1pkk h ASP 7 Cb -0.09 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.27 1pkk h ASP 7 CO -0.07 0.89 -0.05 0.40 -1.72 0.00 0.00 179.24 178.70 1pkk h ILE 8 N 0.29 0.84 -0.50 0.35 2.04 -0.85 0.10 117.51 119.78 1pkk h ILE 8 Ca 0.05 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.00 1pkk h ILE 8 Cb 0.69 0.84 -0.07 0.00 -0.74 0.00 0.00 36.82 37.53 1pkk h ILE 8 CO 0.05 0.00 0.08 0.40 0.00 0.00 0.00 178.15 178.67 1pkk h ILE 9 N -0.02 0.69 0.07 -0.67 1.08 -1.17 -1.18 117.51 116.30 1pkk h ILE 9 Ca 0.07 -0.07 0.00 0.00 -0.39 0.00 0.00 64.86 64.47 1pkk h ILE 9 Cb 0.12 0.46 -0.00 0.00 -3.07 0.00 0.00 36.82 34.33 1pkk h ILE 9 CO -0.15 0.04 -0.06 0.44 -0.69 0.00 0.00 178.15 177.73 1pkk h ASP 10 N 0.21 -0.14 -0.05 1.72 3.32 -0.66 -1.18 116.42 119.63 1pkk h ASP 10 Ca 0.25 0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.28 1pkk h ASP 10 Cb 0.35 0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.94 1pkk h ASP 10 CO -0.35 -0.09 -0.05 1.88 -1.72 0.00 0.00 179.24 178.92 1pkk h TYR 11 N -0.13 0.25 -0.01 4.55 -1.99 -0.60 -1.79 116.97 117.25 1pkk h TYR 11 Ca 0.00 -0.02 -0.24 0.00 2.00 0.00 0.00 58.73 60.47 1pkk h TYR 11 Cb 0.12 -0.08 0.02 0.00 2.00 0.00 0.00 36.73 38.79 1pkk h TYR 11 CO -0.09 0.31 -0.94 0.28 -0.00 0.00 0.00 178.16 177.71 1pkk h VAL 12 N 0.24 1.31 -0.76 -2.88 2.07 -1.08 0.16 116.25 115.31 1pkk h VAL 12 Ca 0.06 -2.19 0.02 0.00 0.82 0.00 0.00 66.70 65.41 1pkk h VAL 12 Cb 0.25 2.39 -0.04 0.00 -1.52 0.00 0.00 31.29 32.37 1pkk h VAL 12 CO 0.01 0.67 0.49 0.74 0.02 0.00 0.00 177.57 179.50 1pkk h THR 13 N 0.31 1.15 -0.17 2.57 2.02 -0.78 -1.89 112.91 116.11 1pkk h THR 13 Ca -0.11 -0.34 0.00 0.00 0.77 0.00 0.00 66.41 66.73 1pkk h THR 13 Cb 1.60 0.08 0.00 0.00 -1.74 0.00 0.00 68.15 68.09 1pkk h THR 13 CO 0.19 0.18 0.00 -1.54 0.37 0.00 0.00 175.52 174.71 1pkk n SER 14 N -4.59 1.56 -1.44 4.18 3.41 -0.71 -4.92 113.62 111.10 1pkk n SER 14 Ca 0.08 -1.72 -0.16 0.00 -0.26 0.00 0.00 58.87 56.82 1pkk n SER 14 Cb 0.06 -0.11 -0.04 0.00 -0.26 0.00 0.00 64.21 63.86 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 0.26 -1.15 0.01 4.33 5.02 -0.71 -4.87 118.16 121.05 1pkk n LYS 15 Ca 0.15 0.93 -0.13 0.00 -2.02 0.00 0.00 58.31 57.24 1pkk n LYS 15 Cb 0.31 -5.18 -0.01 0.00 -0.02 0.00 0.00 35.03 30.12 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 0.60 -5.10 1.97 3.08 -0.97 -3.40 114.38 110.56 1pkk h ARG 16 Ca -0.34 -0.48 -0.67 0.00 0.07 0.00 0.00 59.98 58.56 1pkk h ARG 16 Cb 1.12 0.10 -0.35 0.00 0.08 0.00 0.00 29.97 30.93 1pkk h ARG 16 CO 0.46 1.10 -0.86 0.42 -1.07 0.00 0.00 179.97 180.01 1pkk s ILE 17 N -3.71 2.02 -0.10 2.04 1.01 -0.71 -3.48 121.20 118.26 1pkk s ILE 17 Ca -0.08 -0.93 -0.15 0.00 0.00 0.00 0.00 60.65 59.49 1pkk s ILE 17 Cb 0.10 -1.81 -0.05 0.00 0.01 0.00 0.00 42.46 40.71 1pkk s ILE 17 CO 0.87 0.54 0.37 -0.63 0.00 0.00 0.00 174.94 176.09 1pkk s ILE 18 N 1.06 5.20 -0.16 2.92 -1.09 -0.57 -4.10 121.20 124.47 1pkk s ILE 18 Ca -0.01 0.73 -0.04 0.00 -2.23 0.00 0.00 60.65 59.09 1pkk s ILE 18 Cb -0.14 -3.69 0.07 0.00 -1.58 0.00 0.00 42.46 37.11 1pkk s ILE 18 CO -0.07 0.44 0.15 -0.63 -1.23 0.00 0.00 174.94 173.59 1pkk s ILE 19 N -0.02 -0.20 -0.09 2.92 1.01 -1.26 -1.93 121.20 121.63 1pkk s ILE 19 Ca 0.21 -0.02 -0.01 0.00 0.00 0.00 0.00 60.65 60.83 1pkk s ILE 19 Cb -0.15 -0.53 0.03 0.00 0.01 0.00 0.00 42.46 41.82 1pkk s ILE 19 CO 0.08 -0.15 -0.02 -0.54 0.00 0.00 0.00 174.94 174.31 1pkk s LYS 20 N 2.23 0.93 0.68 2.79 1.02 0.02 -3.35 119.74 124.06 1pkk s LYS 20 Ca 0.04 -0.06 -0.11 0.00 0.02 0.00 0.00 55.97 55.87 1pkk s LYS 20 Cb -0.15 -1.27 0.01 0.00 -0.52 0.00 0.00 37.83 35.90 1pkk s LYS 20 CO -0.09 -0.31 1.06 -1.25 -0.92 0.00 0.00 175.35 173.83 1pkk s PRO 21 N 1.87 2.94 -0.05 -1.68 0.04 -1.26 -0.05 135.00 136.80 1pkk s PRO 21 Ca 0.05 0.41 0.06 0.00 0.04 0.00 0.00 61.00 61.56 1pkk s PRO 21 Cb -0.13 -2.07 -0.01 0.00 0.04 0.00 0.00 34.50 32.33 1pkk s PRO 21 CO -0.06 -0.94 -0.25 0.12 0.04 0.00 0.00 177.00 175.91 1pkk s PHE 22 N -3.28 2.43 -0.14 0.56 5.36 -1.21 -4.84 117.98 116.86 1pkk s PHE 22 Ca 0.57 -0.69 -0.01 0.00 -0.96 0.00 0.00 56.93 55.84 1pkk s PHE 22 Cb -0.11 -1.59 0.04 0.00 -0.34 0.00 0.00 43.02 41.02 1pkk s PHE 22 CO 0.51 -0.20 -0.04 1.21 -1.46 0.00 0.00 175.22 175.24 1pkk s ASN 23 N -0.21 2.47 0.59 6.13 3.84 -1.26 -5.02 114.94 121.47 1pkk s ASN 23 Ca -0.02 -0.50 0.29 0.00 0.21 0.00 0.00 52.86 52.84 1pkk s ASN 23 Cb -0.13 -0.78 1.73 0.00 -0.55 0.00 0.00 41.25 41.52 1pkk s ASN 23 CO 0.03 -0.19 2.19 0.50 -2.79 0.00 0.00 177.10 176.85 1pkk h LYS 24 N 8.18 0.00 0.00 0.43 3.64 -1.99 -0.86 116.57 125.98 1pkk h LYS 24 Ca -0.24 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.14 1pkk h LYS 24 Cb 1.12 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.94 1pkk h LYS 24 CO 0.37 0.00 0.00 -0.44 -2.27 0.00 0.00 179.45 177.11 1pkk h ASP 25 N 0.00 0.00 0.33 4.20 3.32 -2.02 -2.49 116.42 119.76 1pkk h ASP 25 Ca 0.03 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.08 1pkk h ASP 25 Cb 0.20 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.75 1pkk h ASP 25 CO -0.00 0.00 -0.14 0.49 -1.72 0.00 0.00 179.24 177.87 1pkk n PHE 26 N -2.35 0.00 -2.72 4.55 3.72 -0.33 -4.81 117.46 115.52 1pkk n PHE 26 Ca 0.02 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 56.99 1pkk n PHE 26 Cb 0.25 -0.17 -0.03 0.00 -0.94 0.00 0.00 39.48 38.59 1pkk n PHE 26 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 1pkk s VAL 27 N -2.47 4.74 0.43 -4.37 1.01 -0.94 -0.78 120.40 118.02 1pkk s VAL 27 Ca 0.28 1.93 0.06 0.00 0.00 0.00 0.00 61.98 64.25 1pkk s VAL 27 Cb 0.20 -4.27 0.06 0.00 0.00 0.00 0.00 36.38 32.37 1pkk s VAL 27 CO 0.48 -0.11 0.46 0.61 0.00 0.00 0.00 175.10 176.54 1pkk n GLY 28 N 3.36 2.38 0.32 4.51 0.00 0.31 -5.00 105.19 111.07 1pkk n GLY 28 Ca 0.10 -2.24 0.15 0.00 0.00 0.00 0.00 46.02 44.03 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 0.30 -0.26 1.61 0.11 -1.97 -3.27 132.00 128.53 1pkk h PRO 29 Ca -0.24 -0.02 -0.23 0.00 0.11 0.00 0.00 66.00 65.63 1pkk h PRO 29 Cb 0.96 -0.07 -0.25 0.00 0.11 0.00 0.00 31.00 31.75 1pkk h PRO 29 CO 0.35 0.20 -0.65 0.00 -0.21 0.00 0.00 178.00 177.70 1pkk s SER 31 N -2.16 -0.08 -0.06 0.00 1.04 -1.23 -4.58 113.70 106.62 1pkk s SER 31 Ca 0.19 -0.62 -0.01 0.00 0.48 0.00 0.00 55.95 55.99 1pkk s SER 31 Cb 0.41 0.54 0.03 0.00 0.10 0.00 0.00 66.02 67.10 1pkk s SER 31 CO -0.07 -1.05 -0.01 -0.47 0.98 0.00 0.00 173.24 172.61 1pkk s TYR 32 N -2.70 0.72 0.25 5.02 6.14 -0.41 -0.53 117.35 125.84 1pkk s TYR 32 Ca 0.17 -0.20 -0.30 0.00 0.64 0.00 0.00 57.07 57.38 1pkk s TYR 32 Cb -0.02 -0.77 -0.09 0.00 0.42 0.00 0.00 41.96 41.49 1pkk s TYR 32 CO 0.05 -0.30 1.10 -0.51 0.64 0.00 0.00 175.55 176.54 1pkk s ASP 33 N 1.65 7.26 0.32 4.32 1.01 0.04 -0.76 116.67 130.51 1pkk s ASP 33 Ca 0.00 2.23 0.09 0.00 0.71 0.00 0.00 52.55 55.58 1pkk s ASP 33 Cb -0.13 -2.62 -0.05 0.00 1.01 0.00 0.00 42.92 41.13 1pkk s ASP 33 CO -0.04 -0.17 0.01 0.68 0.21 0.00 0.00 175.17 175.86 1pkk s VAL 34 N -0.91 2.89 0.24 -1.27 -7.23 -0.27 -4.90 120.40 108.95 1pkk s VAL 34 Ca 0.46 -1.96 0.11 0.00 -1.81 0.00 0.00 61.98 58.78 1pkk s VAL 34 Cb -0.31 -2.79 -0.05 0.00 0.56 0.00 0.00 36.38 33.79 1pkk s VAL 34 CO 0.39 -0.26 -0.20 0.42 -0.31 0.00 0.00 175.10 175.14 1pkk s THR 35 N -2.45 2.29 -0.16 5.32 -4.23 -1.26 -1.51 115.64 113.64 1pkk s THR 35 Ca 0.34 -2.26 -0.29 0.00 -1.18 0.00 0.00 61.69 58.30 1pkk s THR 35 Cb -0.03 -2.19 -0.00 0.00 1.34 0.00 0.00 72.50 71.62 1pkk s THR 35 CO 0.20 -0.36 0.99 -0.22 -0.54 0.00 0.00 174.62 174.69 1pkk s LEU 36 N -3.23 4.19 0.85 4.79 2.96 -0.27 -0.61 118.68 127.36 1pkk s LEU 36 Ca 0.26 1.43 -0.12 0.00 -0.22 0.00 0.00 54.13 55.48 1pkk s LEU 36 Cb -0.05 -3.51 0.10 0.00 0.50 0.00 0.00 46.19 43.24 1pkk s LEU 36 CO 0.12 -0.52 1.13 -0.83 -1.32 0.00 0.00 176.35 174.93 1pkk s GLY 37 N 1.14 1.59 0.00 7.98 0.00 0.21 0.06 107.32 118.31 1pkk s GLY 37 Ca 0.45 -0.43 0.24 0.00 0.00 0.00 0.00 44.72 44.98 1pkk s GLY 37 CO 0.13 0.07 1.59 2.09 0.00 0.00 0.00 173.10 176.98 1pkk n ASP 38 N -3.56 1.83 -4.61 1.64 5.68 -1.26 -4.71 116.55 111.55 1pkk n ASP 38 Ca 0.07 -1.67 -0.34 0.00 -0.50 0.00 0.00 54.79 52.34 1pkk n ASP 38 Cb 0.58 -0.07 -0.10 0.00 -1.14 0.00 0.00 41.12 40.39 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 -1.86 3.65 0.18 0.11 2.02 -1.26 -1.19 118.70 120.35 1pkk s GLU 39 Ca 0.35 -0.40 0.05 0.00 0.02 0.00 0.00 54.97 54.98 1pkk s GLU 39 Cb 0.19 -3.03 -0.05 0.00 0.10 0.00 0.00 34.13 31.35 1pkk s GLU 39 CO 0.30 0.38 -0.09 -0.06 0.02 0.00 0.00 175.26 175.81 1pkk s PHE 40 N 0.04 1.44 -0.05 1.61 0.40 0.18 -4.01 117.98 117.58 1pkk s PHE 40 Ca 0.03 -0.75 0.03 0.00 -0.60 0.00 0.00 56.93 55.64 1pkk s PHE 40 Cb -0.13 -0.74 0.01 0.00 0.51 0.00 0.00 43.02 42.67 1pkk s PHE 40 CO 0.02 0.12 -0.12 0.42 0.70 0.00 0.00 175.22 176.35 1pkk s ILE 41 N -3.26 1.08 -0.13 0.64 1.01 0.10 -0.68 121.20 119.96 1pkk s ILE 41 Ca 0.21 -0.49 0.01 0.00 0.00 0.00 0.00 60.65 60.37 1pkk s ILE 41 Cb 0.03 -0.97 0.02 0.00 0.01 0.00 0.00 42.46 41.54 1pkk s ILE 41 CO 0.04 0.33 -0.14 -0.63 0.00 0.00 0.00 174.94 174.54 1pkk s ILE 42 N 0.38 1.49 0.39 2.92 -1.09 -0.88 -1.49 121.20 122.92 1pkk s ILE 42 Ca -0.09 -0.61 -0.25 0.00 -2.23 0.00 0.00 60.65 57.48 1pkk s ILE 42 Cb -0.13 -1.39 -0.09 0.00 -1.58 0.00 0.00 42.46 39.27 1pkk s ILE 42 CO 0.02 0.44 1.11 -0.31 -1.23 0.00 0.00 174.94 174.98 1pkk s TYR 43 N 1.29 3.18 -0.09 3.97 2.02 -1.26 -0.87 117.35 125.59 1pkk s TYR 43 Ca 0.00 1.60 0.14 0.00 -0.37 0.00 0.00 57.07 58.44 1pkk s TYR 43 Cb -0.14 -3.27 0.21 0.00 -0.40 0.00 0.00 41.96 38.36 1pkk s TYR 43 CO -0.07 -0.98 1.10 -0.40 -1.57 0.00 0.00 175.55 173.63 1pkk n ASP 44 N 0.08 1.88 -4.95 2.29 5.75 -1.02 -4.89 116.55 115.69 1pkk n ASP 44 Ca 0.04 -2.76 -0.23 0.00 -0.01 0.00 0.00 54.79 51.83 1pkk n ASP 44 Cb 0.48 -0.34 -0.01 0.00 -1.03 0.00 0.00 41.12 40.21 1pkk n ASP 44 CO 0.00 0.00 0.00 -1.81 -0.11 0.00 0.00 177.20 175.28 1pkk s ASP 45 N -2.33 6.21 0.15 -1.12 1.01 -1.26 -5.01 116.67 114.32 1pkk s ASP 45 Ca 0.23 0.29 -0.12 0.00 0.71 0.00 0.00 52.55 53.66 1pkk s ASP 45 Cb 0.20 -1.86 0.02 0.00 1.01 0.00 0.00 42.92 42.30 1pkk s ASP 45 CO 0.02 -0.32 1.60 -0.08 0.21 0.00 0.00 175.17 176.61 1pkk h GLU 46 N 0.80 0.90 -4.20 8.23 4.81 -1.99 -3.46 114.58 119.68 1pkk h GLU 46 Ca -0.49 -0.29 -0.12 0.00 -0.13 0.00 0.00 59.36 58.32 1pkk h GLU 46 Cb 1.23 -0.08 -0.15 0.00 0.63 0.00 0.00 28.75 30.38 1pkk h GLU 46 CO 0.60 0.93 -0.63 0.14 -0.73 0.00 0.00 179.01 179.32 1pkk s VAL 47 N -5.00 0.19 -0.38 0.32 -7.23 -1.26 -5.13 120.40 101.91 1pkk s VAL 47 Ca -0.12 -1.73 -0.19 0.00 -1.81 0.00 0.00 61.98 58.13 1pkk s VAL 47 Cb 0.12 -1.56 0.01 0.00 0.56 0.00 0.00 36.38 35.50 1pkk s VAL 47 CO 0.83 -0.88 0.54 -0.31 -0.31 0.00 0.00 175.10 174.96 1pkk s TYR 48 N -3.93 3.15 -0.33 2.82 1.51 -1.26 -5.01 117.35 114.30 1pkk s TYR 48 Ca 0.09 0.03 0.03 0.00 -1.01 0.00 0.00 57.07 56.21 1pkk s TYR 48 Cb 0.07 -3.03 0.10 0.00 -0.11 0.00 0.00 41.96 38.99 1pkk s TYR 48 CO -0.09 -0.65 0.05 0.34 -1.11 0.00 0.00 175.55 174.09 1pkk s ASP 49 N 1.83 4.58 0.00 2.29 -1.08 -1.26 -4.98 116.67 118.05 1pkk s ASP 49 Ca 0.19 -2.00 0.07 0.00 -0.52 0.00 0.00 52.55 50.29 1pkk s ASP 49 Cb -0.15 -1.46 0.31 0.00 -1.46 0.00 0.00 42.92 40.16 1pkk s ASP 49 CO 0.15 -0.38 1.18 0.18 0.52 0.00 0.00 175.17 176.82 1pkk n LEU 50 N 4.39 0.00 -0.07 -1.34 4.77 -1.26 -1.29 117.00 122.20 1pkk n LEU 50 Ca 0.02 0.44 0.14 0.00 -0.03 0.00 0.00 56.01 56.58 1pkk n LEU 50 Cb 0.42 -0.44 0.67 0.00 -2.33 0.00 0.00 43.42 41.74 1pkk n LEU 50 CO 0.20 -0.33 0.93 -1.54 -1.33 0.00 0.00 177.39 175.31 1pkk n SER 51 N -1.44 0.28 -4.41 -1.43 3.41 -1.26 -4.84 113.62 103.93 1pkk n SER 51 Ca 0.02 -0.40 -0.20 0.00 -0.26 0.00 0.00 58.87 58.03 1pkk n SER 51 Cb 0.07 -0.15 -0.10 0.00 -0.26 0.00 0.00 64.21 63.77 1pkk n SER 51 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1pkk s LYS 52 N -2.52 1.49 0.04 4.33 1.02 -0.41 -5.11 119.74 118.58 1pkk s LYS 52 Ca 0.29 -1.74 -0.30 0.00 0.02 0.00 0.00 55.97 54.23 1pkk s LYS 52 Cb 0.20 -1.12 -0.05 0.00 -0.52 0.00 0.00 37.83 36.34 1pkk s LYS 52 CO 0.47 0.06 1.13 -1.21 -0.92 0.00 0.00 175.35 174.89 1pkk s GLU 53 N -3.72 4.47 0.04 1.68 2.02 -1.26 -4.88 118.70 117.05 1pkk s GLU 53 Ca 0.28 1.66 -0.24 0.00 0.02 0.00 0.00 54.97 56.69 1pkk s GLU 53 Cb 0.03 -3.39 -0.06 0.00 0.10 0.00 0.00 34.13 30.81 1pkk s GLU 53 CO 0.11 -0.20 0.72 -0.51 0.02 0.00 0.00 175.26 175.39 1pkk s LEU 54 N 1.10 4.45 0.17 1.80 1.43 -1.26 -5.07 118.68 121.30 1pkk s LEU 54 Ca 0.56 1.38 -0.14 0.00 -1.03 0.00 0.00 54.13 54.91 1pkk s LEU 54 Cb -0.27 -3.15 -0.07 0.00 0.03 0.00 0.00 46.19 42.73 1pkk s LEU 54 CO 0.28 0.05 0.56 0.20 0.23 0.00 0.00 176.35 177.68 1pkk s ASN 55 N -0.17 6.79 0.23 2.29 -0.87 -1.26 -5.06 114.94 116.90 1pkk s ASN 55 Ca 0.36 1.06 -0.22 0.00 -1.57 0.00 0.00 52.86 52.50 1pkk s ASN 55 Cb -0.20 -2.28 0.04 0.00 -0.02 0.00 0.00 41.25 38.79 1pkk s ASN 55 CO 0.22 0.06 0.68 -0.72 -2.57 0.00 0.00 177.10 174.77 1pkk s TYR 56 N -1.55 -0.31 -0.05 2.20 -0.85 -1.26 -2.42 117.35 113.11 1pkk s TYR 56 Ca 0.40 -0.05 0.07 0.00 -0.52 0.00 0.00 57.07 56.96 1pkk s TYR 56 Cb -0.14 0.65 -0.01 0.00 0.38 0.00 0.00 41.96 42.84 1pkk s TYR 56 CO 0.20 -1.09 -0.25 -1.59 -1.52 0.00 0.00 175.55 171.30 1pkk s LYS 57 N -3.84 2.42 -0.14 -3.49 -2.85 -0.05 -4.90 119.74 106.89 1pkk s LYS 57 Ca 0.07 -0.90 -0.22 0.00 -1.00 0.00 0.00 55.97 53.92 1pkk s LYS 57 Cb -0.04 -2.14 -0.03 0.00 -2.06 0.00 0.00 37.83 33.56 1pkk s LYS 57 CO -0.00 0.45 0.67 0.50 0.10 0.00 0.00 175.35 177.06 1pkk s ARG 58 N -0.32 4.31 -0.07 1.78 6.06 -1.26 -2.08 118.95 127.38 1pkk s ARG 58 Ca 0.01 0.74 0.04 0.00 -2.50 0.00 0.00 55.73 54.03 1pkk s ARG 58 Cb -0.12 -3.52 -0.00 0.00 0.06 0.00 0.00 34.95 31.36 1pkk s ARG 58 CO 0.02 -0.11 -0.21 0.42 -2.50 0.00 0.00 175.30 172.92 1pkk s ILE 59 N 1.44 1.76 -0.08 4.11 -1.09 0.14 -5.00 121.20 122.49 1pkk s ILE 59 Ca 0.33 -0.88 0.03 0.00 -2.23 0.00 0.00 60.65 57.90 1pkk s ILE 59 Cb -0.16 -1.52 0.00 0.00 -1.58 0.00 0.00 42.46 39.20 1pkk s ILE 59 CO 0.13 0.50 -0.19 -0.75 -1.23 0.00 0.00 174.94 173.39 1pkk s LYS 60 N 0.15 2.46 0.18 2.79 2.20 -1.26 0.50 119.74 126.76 1pkk s LYS 60 Ca -0.10 -0.69 0.06 0.00 -0.36 0.00 0.00 55.97 54.88 1pkk s LYS 60 Cb -0.15 -1.92 -0.04 0.00 -1.51 0.00 0.00 37.83 34.21 1pkk s LYS 60 CO 0.05 0.14 0.12 0.96 -0.36 0.00 0.00 175.35 176.25 1pkk s ILE 61 N 0.42 4.33 -0.11 5.43 -4.36 -0.33 -5.02 121.20 121.56 1pkk s ILE 61 Ca -0.16 -1.19 -0.17 0.00 -0.26 0.00 0.00 60.65 58.87 1pkk s ILE 61 Cb -0.17 -3.22 -0.27 0.00 1.25 0.00 0.00 42.46 40.05 1pkk s ILE 61 CO 0.06 -0.14 0.56 0.50 0.24 0.00 0.00 174.94 176.16 1pkk h LYS 62 N 2.34 0.21 0.00 0.37 3.64 -1.96 -3.46 116.57 117.72 1pkk h LYS 62 Ca -0.48 -0.36 0.00 0.00 -1.27 0.00 0.00 60.65 58.54 1pkk h LYS 62 Cb 1.21 0.14 0.00 0.00 -0.41 0.00 0.00 32.23 33.16 1pkk h LYS 62 CO 0.62 1.17 -0.39 0.09 -2.27 0.00 0.00 179.45 178.68 1pkk n ASN 63 N -4.01 0.01 -3.98 4.20 4.13 -1.26 -4.90 115.26 109.45 1pkk n ASN 63 Ca -0.24 0.01 -0.10 0.00 1.68 0.00 0.00 54.58 55.93 1pkk n ASN 63 Cb 0.86 0.00 -0.06 0.00 -1.54 0.00 0.00 39.78 39.04 1pkk n ASN 63 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 1pkk s SER 64 N -5.01 -0.04 0.00 6.41 1.04 -1.26 -0.02 113.70 114.82 1pkk s SER 64 Ca 0.00 -0.90 -0.02 0.00 0.48 0.00 0.00 55.95 55.50 1pkk s SER 64 Cb 0.00 0.51 -0.01 0.00 0.10 0.00 0.00 66.02 66.62 1pkk s SER 64 CO 0.00 -1.01 0.03 -0.51 0.98 0.00 0.00 173.24 172.73 1pkk s ILE 65 N -4.00 0.07 -0.26 -1.02 2.07 -0.28 -1.84 121.20 115.94 1pkk s ILE 65 Ca 0.21 -0.57 -0.07 0.00 -1.41 0.00 0.00 60.65 58.81 1pkk s ILE 65 Cb 0.01 -0.24 -0.02 0.00 0.13 0.00 0.00 42.46 42.34 1pkk s ILE 65 CO 0.05 -0.31 0.07 -0.22 -1.91 0.00 0.00 174.94 172.62 1pkk s LEU 66 N -0.97 3.51 -0.36 8.50 2.96 -0.10 -0.74 118.68 131.49 1pkk s LEU 66 Ca -0.11 -0.31 -0.14 0.00 -0.22 0.00 0.00 54.13 53.36 1pkk s LEU 66 Cb -0.06 -1.91 -0.01 0.00 0.50 0.00 0.00 46.19 44.71 1pkk s LEU 66 CO -0.00 -0.07 0.27 -0.69 -1.32 0.00 0.00 176.35 174.54 1pkk s VAL 67 N 1.59 5.27 0.09 1.68 1.01 -0.05 -1.46 120.40 128.53 1pkk s VAL 67 Ca 0.06 -0.30 0.02 0.00 0.00 0.00 0.00 61.98 61.75 1pkk s VAL 67 Cb -0.15 -3.78 -0.04 0.00 0.00 0.00 0.00 36.38 32.41 1pkk s VAL 67 CO 0.03 -0.09 0.16 0.00 0.00 0.00 0.00 175.10 175.20 1pkk s PRO 69 N -2.63 1.80 0.63 0.00 0.02 -1.26 -1.24 135.00 132.32 1pkk s PRO 69 Ca 0.32 1.53 -0.18 0.00 0.02 0.00 0.00 61.00 62.69 1pkk s PRO 69 Cb -0.12 -1.82 -0.02 0.00 0.02 0.00 0.00 34.50 32.56 1pkk s PRO 69 CO 0.25 -2.05 1.28 -1.17 -0.33 0.00 0.00 177.00 174.99 1pkk s LEU 70 N -5.83 3.61 -1.31 -5.54 2.96 -1.26 -2.98 118.68 108.32 1pkk s LEU 70 Ca 0.68 2.59 -0.06 0.00 -0.22 0.00 0.00 54.13 57.12 1pkk s LEU 70 Cb -0.24 -4.59 0.01 0.00 0.50 0.00 0.00 46.19 41.87 1pkk s LEU 70 CO 0.52 -1.90 0.77 0.59 -1.32 0.00 0.00 176.35 175.00 1pkk n ASN 71 N -1.79 -5.77 -0.03 3.68 3.02 -1.26 -4.88 115.26 108.23 1pkk n ASN 71 Ca 0.15 -0.35 0.13 0.00 -0.03 0.00 0.00 54.58 54.48 1pkk n ASN 71 Cb 0.48 -4.51 0.43 0.00 -0.61 0.00 0.00 39.78 35.57 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 -4.54 0.00 -3.22 3.10 9.36 -1.16 -4.98 117.16 115.72 1pkk n TYR 72 Ca -0.05 0.00 -0.12 0.00 3.32 0.00 0.00 57.90 61.04 1pkk n TYR 72 Cb 0.58 -0.32 0.01 0.00 -0.63 0.00 0.00 39.34 38.98 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 -1.39 -6.94 -4.52 2.98 5.03 -1.26 -4.87 115.26 104.29 1pkk n ASN 73 Ca 0.07 -0.12 -0.43 0.00 0.87 0.00 0.00 54.58 54.98 1pkk n ASN 73 Cb 0.33 -4.11 -0.01 0.00 -1.02 0.00 0.00 39.78 34.96 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 -3.66 4.27 0.93 3.41 1.43 -1.26 -4.98 118.68 118.82 1pkk s LEU 74 Ca 0.11 -2.20 -0.12 0.00 -1.03 0.00 0.00 54.13 50.89 1pkk s LEU 74 Cb -0.02 -2.50 0.15 0.00 0.03 0.00 0.00 46.19 43.85 1pkk s LEU 74 CO 0.80 -1.15 1.09 0.42 0.23 0.00 0.00 176.35 177.74 1pkk s THR 75 N 3.53 2.48 0.38 5.49 -4.23 -1.26 -4.76 115.64 117.27 1pkk s THR 75 Ca 0.45 0.16 0.07 0.00 -1.18 0.00 0.00 61.69 61.18 1pkk s THR 75 Cb -0.00 -2.60 0.29 0.00 1.34 0.00 0.00 72.50 71.52 1pkk s THR 75 CO -0.03 -0.20 1.99 -0.08 -0.54 0.00 0.00 174.62 175.77 1pkk h GLU 76 N -1.69 0.66 -0.12 3.99 4.22 -2.00 -1.59 114.58 118.05 1pkk h GLU 76 Ca -0.51 -0.04 -0.21 0.00 0.08 0.00 0.00 59.36 58.68 1pkk h GLU 76 Cb 1.30 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.40 1pkk h GLU 76 CO 0.55 0.44 -0.77 1.49 -2.18 0.00 0.00 179.01 178.53 1pkk h GLU 77 N 0.68 0.64 -0.59 1.92 4.22 -2.00 -2.98 114.58 116.48 1pkk h GLU 77 Ca 0.26 -0.53 -0.07 0.00 0.08 0.00 0.00 59.36 59.09 1pkk h GLU 77 Cb 0.16 0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.50 1pkk h GLU 77 CO -0.07 1.15 0.08 -0.22 -2.18 0.00 0.00 179.01 177.77 1pkk h LYS 78 N 0.43 0.98 -0.29 1.92 1.63 -1.71 -0.93 116.57 118.60 1pkk h LYS 78 Ca -0.05 -0.27 -0.01 0.00 -0.85 0.00 0.00 60.65 59.48 1pkk h LYS 78 Cb 1.38 -0.11 -0.01 0.00 -0.60 0.00 0.00 32.23 32.89 1pkk h LYS 78 CO 0.15 0.94 0.15 0.82 -3.45 0.00 0.00 179.45 178.06 1pkk h ILE 79 N 0.88 1.14 -0.40 2.00 2.04 -1.35 -0.11 117.51 121.71 1pkk h ILE 79 Ca 0.18 -0.37 -0.07 0.00 1.00 0.00 0.00 64.86 65.60 1pkk h ILE 79 Cb 0.44 0.84 -0.02 0.00 -0.74 0.00 0.00 36.82 37.34 1pkk h ILE 79 CO 0.01 0.14 -0.03 0.78 0.00 0.00 0.00 178.15 179.05 1pkk h ASN 80 N 0.35 0.62 -0.40 1.72 2.35 -1.41 -0.43 115.58 118.38 1pkk h ASN 80 Ca 0.10 -0.14 -0.01 0.00 -0.55 0.00 0.00 56.30 55.71 1pkk h ASN 80 Cb 0.08 -0.16 -0.02 0.00 0.05 0.00 0.00 38.32 38.27 1pkk h ASN 80 CO -0.02 0.70 0.22 0.22 -1.65 0.00 0.00 177.43 176.91 1pkk h TYR 81 N 0.61 0.55 -0.45 1.19 5.03 -0.66 -1.48 116.97 121.76 1pkk h TYR 81 Ca 0.12 -0.01 -0.12 0.00 2.58 0.00 0.00 58.73 61.30 1pkk h TYR 81 Cb 0.42 -0.18 -0.01 0.00 1.55 0.00 0.00 36.73 38.51 1pkk h TYR 81 CO 0.02 0.42 -0.17 0.74 -1.32 0.00 0.00 178.16 177.84 1pkk h PHE 82 N 0.52 1.04 -0.39 -3.82 0.04 -0.61 -1.84 116.94 111.88 1pkk h PHE 82 Ca 0.14 -0.24 -0.01 0.00 2.80 0.00 0.00 57.97 60.66 1pkk h PHE 82 Cb 0.05 -0.25 -0.02 0.00 2.20 0.00 0.00 35.95 37.93 1pkk h PHE 82 CO -0.03 1.03 0.20 0.87 -0.60 0.00 0.00 178.31 179.79 1pkk h LYS 83 N 0.75 0.55 -0.06 1.51 1.57 -0.91 0.25 116.57 120.23 1pkk h LYS 83 Ca 0.11 -0.07 -0.14 0.00 -1.87 0.00 0.00 60.65 58.67 1pkk h LYS 83 Cb 0.73 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.93 1pkk h LYS 83 CO 0.06 0.47 -0.60 0.93 -0.57 0.00 0.00 179.45 179.73 1pkk h GLU 84 N 0.49 0.20 0.19 3.15 5.08 -1.27 0.86 114.58 123.28 1pkk h GLU 84 Ca 0.13 -0.13 -0.31 0.00 -1.00 0.00 0.00 59.36 58.05 1pkk h GLU 84 Cb 0.09 0.02 0.02 0.00 0.50 0.00 0.00 28.75 29.38 1pkk h GLU 84 CO -0.02 0.74 -1.42 -0.22 -1.00 0.00 0.00 179.01 177.09 1pkk h LYS 85 N 0.15 0.41 -0.14 2.33 3.64 -1.19 -3.37 116.57 118.39 1pkk h LYS 85 Ca -0.01 -0.69 0.00 0.00 -1.27 0.00 0.00 60.65 58.68 1pkk h LYS 85 Cb 1.10 0.26 0.00 0.00 -0.41 0.00 0.00 32.23 33.18 1pkk h LYS 85 CO 0.09 1.32 0.00 0.66 -2.27 0.00 0.00 179.45 179.25 1pkk n TYR 86 N -3.61 0.18 -3.62 1.91 4.01 0.06 -5.00 117.16 111.09 1pkk n TYR 86 Ca -0.14 -0.23 -0.27 0.00 -0.16 0.00 0.00 57.90 57.10 1pkk n TYR 86 Cb 1.07 -0.01 0.02 0.00 -0.31 0.00 0.00 39.34 40.10 1pkk n TYR 86 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 1pkk n ASN 87 N 0.46 -4.70 -4.86 7.72 4.13 0.29 -4.97 115.26 113.34 1pkk n ASN 87 Ca 0.08 -0.59 -0.34 0.00 1.68 0.00 0.00 54.58 55.41 1pkk n ASN 87 Cb 0.31 -3.79 -0.06 0.00 -1.54 0.00 0.00 39.78 34.71 1pkk n ASN 87 CO 0.00 0.00 0.00 0.68 0.28 0.00 0.00 177.26 178.22 1pkk s VAL 88 N -3.17 4.87 -0.11 2.41 -7.23 -1.22 -4.77 120.40 111.18 1pkk s VAL 88 Ca 0.54 0.70 0.14 0.00 -1.81 0.00 0.00 61.98 61.55 1pkk s VAL 88 Cb -0.27 -3.68 -0.03 0.00 0.56 0.00 0.00 36.38 32.95 1pkk s VAL 88 CO 0.66 0.10 1.23 0.44 -0.31 0.00 0.00 175.10 177.22 1pkk h ASP 89 N 3.09 0.00 -4.35 4.85 3.32 -1.73 -3.43 116.42 118.16 1pkk h ASP 89 Ca -0.48 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 56.44 1pkk h ASP 89 Cb 1.18 0.00 -0.23 0.00 0.22 0.00 0.00 39.33 40.50 1pkk h ASP 89 CO 0.67 0.60 -0.33 -0.47 -1.72 0.00 0.00 179.24 177.99 1pkk s TYR 90 N -2.91 -0.26 -0.10 4.55 5.04 -1.24 -5.04 117.35 117.40 1pkk s TYR 90 Ca 0.02 0.56 0.02 0.00 -2.44 0.00 0.00 57.07 55.22 1pkk s TYR 90 Cb 0.08 0.10 0.01 0.00 0.35 0.00 0.00 41.96 42.50 1pkk s TYR 90 CO 0.78 -0.26 -0.16 0.08 -1.34 0.00 0.00 175.55 174.65 1pkk s VAL 91 N -0.50 1.51 0.08 3.14 1.01 -1.26 -0.93 120.40 123.45 1pkk s VAL 91 Ca -0.06 -0.67 0.02 0.00 0.00 0.00 0.00 61.98 61.28 1pkk s VAL 91 Cb -0.04 -1.37 -0.03 0.00 0.00 0.00 0.00 36.38 34.94 1pkk s VAL 91 CO 0.02 0.44 -0.08 0.54 0.00 0.00 0.00 175.10 176.02 1pkk s VAL 92 N 0.85 0.70 0.07 2.92 0.11 -0.54 -4.98 120.40 119.53 1pkk s VAL 92 Ca -0.09 -1.52 0.08 0.00 -2.93 0.00 0.00 61.98 57.52 1pkk s VAL 92 Cb -0.15 -1.17 -0.03 0.00 -1.53 0.00 0.00 36.38 33.49 1pkk s VAL 92 CO 0.01 -0.60 -0.22 -1.83 -3.33 0.00 0.00 175.10 169.13 1pkk s GLU 93 N -2.67 1.37 2.18 1.54 -1.05 -1.26 -0.02 118.70 118.79 1pkk s GLU 93 Ca 0.01 -1.06 0.00 0.00 -0.15 0.00 0.00 54.97 53.78 1pkk s GLU 93 Cb -0.03 -1.57 0.00 0.00 -0.44 0.00 0.00 34.13 32.09 1pkk s GLU 93 CO -0.02 0.39 0.00 0.41 0.95 0.00 0.00 175.26 176.99 1pkk n GLY 94 N 1.55 -0.60 3.81 -3.83 0.00 -0.37 -4.85 105.19 100.89 1pkk n GLY 94 Ca -0.18 -1.31 -0.35 0.00 0.00 0.00 0.00 46.02 44.18 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 2.60 -0.05 -0.02 0.00 -1.26 -4.63 107.32 103.95 1pkk s GLY 95 Ca 0.00 0.29 -0.04 0.00 0.00 0.00 0.00 44.72 44.98 1pkk s GLY 95 CO 0.00 0.64 0.12 0.54 0.00 0.00 0.00 173.10 174.40 1pkk s VAL 96 N -1.72 -0.02 -0.07 1.40 0.11 -0.76 -4.85 120.40 114.49 1pkk s VAL 96 Ca 0.50 0.06 -0.16 0.00 -2.93 0.00 0.00 61.98 59.45 1pkk s VAL 96 Cb -0.15 -0.19 -0.05 0.00 -1.53 0.00 0.00 36.38 34.46 1pkk s VAL 96 CO 0.20 0.02 0.42 -0.76 -3.33 0.00 0.00 175.10 171.65 1pkk s LEU 97 N 0.42 4.36 0.00 2.54 1.43 -0.56 -1.32 118.68 125.55 1pkk s LEU 97 Ca -0.03 0.83 0.00 0.00 -1.03 0.00 0.00 54.13 53.90 1pkk s LEU 97 Cb -0.04 -2.60 0.00 0.00 0.03 0.00 0.00 46.19 43.58 1pkk s LEU 97 CO -0.02 0.15 0.00 0.61 0.23 0.00 0.00 176.35 177.33 1pkk n GLY 98 N 2.67 4.32 3.34 -3.19 0.00 0.41 -0.72 105.19 112.01 1pkk n GLY 98 Ca -0.11 -2.02 -0.14 0.00 0.00 0.00 0.00 46.02 43.75 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 -1.21 0.04 0.66 2.61 -1.32 -1.26 -0.60 115.64 114.56 1pkk s THR 99 Ca 0.00 -0.37 -0.11 0.00 -1.21 0.00 0.00 61.69 60.00 1pkk s THR 99 Cb 0.00 -0.87 -0.02 0.00 -1.51 0.00 0.00 72.50 70.11 1pkk s THR 99 CO 0.00 -0.20 1.05 0.42 -2.21 0.00 0.00 174.62 173.67 1pkk s THR 100 N -1.93 4.36 0.10 5.08 -4.23 -0.59 -0.62 115.64 117.82 1pkk s THR 100 Ca -0.09 0.77 -0.06 0.00 -1.18 0.00 0.00 61.69 61.13 1pkk s THR 100 Cb -0.02 -3.63 -0.22 0.00 1.34 0.00 0.00 72.50 69.96 1pkk s THR 100 CO 0.02 -1.00 1.23 0.78 -0.54 0.00 0.00 174.62 175.10 1pkk h ASN 101 N -0.52 0.55 -3.25 3.99 -0.26 -1.15 -3.41 115.58 111.53 1pkk h ASN 101 Ca -0.44 -0.49 -0.53 0.00 -0.56 0.00 0.00 56.30 54.29 1pkk h ASN 101 Cb 1.20 -0.17 0.03 0.00 -1.06 0.00 0.00 38.32 38.32 1pkk h ASN 101 CO 0.59 1.32 0.67 -1.61 -1.06 0.00 0.00 177.43 177.34 1pkk s GLU 102 N -3.06 4.37 -0.14 0.81 8.01 -1.26 -4.60 118.70 122.83 1pkk s GLU 102 Ca -0.06 2.04 -0.05 0.00 0.01 0.00 0.00 54.97 56.91 1pkk s GLU 102 Cb 0.08 -3.22 -0.04 0.00 -4.31 0.00 0.00 34.13 26.64 1pkk s GLU 102 CO 0.88 -0.31 0.05 -0.47 0.01 0.00 0.00 175.26 175.42 1pkk s TYR 103 N 0.49 3.25 0.18 1.61 6.14 0.92 -4.04 117.35 125.91 1pkk s TYR 103 Ca 0.59 0.13 0.06 0.00 0.64 0.00 0.00 57.07 58.50 1pkk s TYR 103 Cb -0.36 -1.97 -0.05 0.00 0.42 0.00 0.00 41.96 40.01 1pkk s TYR 103 CO 0.35 0.31 -0.12 0.96 0.64 0.00 0.00 175.55 177.69 1pkk s ILE 104 N -0.18 1.46 -0.03 3.14 -4.36 0.09 -0.80 121.20 120.51 1pkk s ILE 104 Ca 0.07 -2.14 -0.01 0.00 -0.26 0.00 0.00 60.65 58.31 1pkk s ILE 104 Cb -0.12 -1.99 0.03 0.00 1.25 0.00 0.00 42.46 41.63 1pkk s ILE 104 CO 0.02 -0.64 0.04 -1.61 0.24 0.00 0.00 174.94 172.99 1pkk s GLU 105 N -3.70 0.01 -0.06 0.37 2.02 -0.81 -0.48 118.70 116.05 1pkk s GLU 105 Ca 0.21 0.26 -0.02 0.00 0.02 0.00 0.00 54.97 55.44 1pkk s GLU 105 Cb 0.01 -0.42 -0.04 0.00 0.10 0.00 0.00 34.13 33.78 1pkk s GLU 105 CO 0.04 -0.24 0.04 -0.51 0.02 0.00 0.00 175.26 174.61 1pkk s LEU 106 N 1.60 3.74 1.01 1.80 1.43 0.32 -1.51 118.68 127.08 1pkk s LEU 106 Ca -0.02 0.16 -0.15 0.00 -1.03 0.00 0.00 54.13 53.09 1pkk s LEU 106 Cb -0.13 -1.98 0.20 0.00 0.03 0.00 0.00 46.19 44.31 1pkk s LEU 106 CO -0.03 0.34 1.19 -2.16 0.23 0.00 0.00 176.35 175.92 1pkk s PRO 107 N -1.19 0.28 0.00 1.29 0.04 -1.23 -1.82 135.00 132.36 1pkk s PRO 107 Ca 0.17 -0.03 0.25 0.00 0.04 0.00 0.00 61.00 61.43 1pkk s PRO 107 Cb -0.12 -1.77 1.45 0.00 0.04 0.00 0.00 34.50 34.10 1pkk s PRO 107 CO 0.06 -2.72 1.85 0.27 0.04 0.00 0.00 177.00 176.50 1pkk n ASN 108 N -4.07 0.00 -0.13 6.66 0.23 -1.26 -2.39 115.26 114.30 1pkk n ASN 108 Ca 0.11 -0.64 0.06 0.00 -0.53 0.00 0.00 54.58 53.58 1pkk n ASN 108 Cb 0.59 -0.06 0.10 0.00 -2.08 0.00 0.00 39.78 38.34 1pkk n ASN 108 CO 0.00 0.00 0.00 -0.90 -0.93 0.00 0.00 177.26 175.43 1pkk n ASP 109 N -1.06 2.36 -3.89 0.53 5.75 -1.26 -0.63 116.55 118.35 1pkk n ASP 109 Ca 0.17 -2.66 -0.14 0.00 -0.01 0.00 0.00 54.79 52.16 1pkk n ASP 109 Cb 0.11 -0.28 -0.14 0.00 -1.03 0.00 0.00 41.12 39.77 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 -2.14 0.15 0.08 2.12 -1.09 -1.19 -1.20 121.20 117.92 1pkk s ILE 110 Ca 0.21 -0.06 0.08 0.00 -2.23 0.00 0.00 60.65 58.65 1pkk s ILE 110 Cb 0.18 -0.15 -0.03 0.00 -1.58 0.00 0.00 42.46 40.88 1pkk s ILE 110 CO 0.03 0.05 -0.21 -0.55 -1.23 0.00 0.00 174.94 173.03 1pkk s SER 111 N 0.09 2.56 0.14 3.58 0.15 -0.48 -3.78 113.70 115.95 1pkk s SER 111 Ca -0.01 -0.61 0.08 0.00 0.70 0.00 0.00 55.95 56.12 1pkk s SER 111 Cb -0.02 -0.18 -0.04 0.00 -1.71 0.00 0.00 66.02 64.07 1pkk s SER 111 CO -0.00 0.11 -0.19 0.00 1.20 0.00 0.00 173.24 174.36 1pkk s ALA 112 N -0.98 1.94 -0.08 5.45 0.00 -1.08 -0.23 121.76 126.77 1pkk s ALA 112 Ca 0.07 -1.41 0.04 0.00 0.00 0.00 0.00 51.96 50.67 1pkk s ALA 112 Cb -0.09 -0.21 0.00 0.00 0.00 0.00 0.00 23.12 22.82 1pkk s ALA 112 CO 0.03 0.28 -0.20 -1.14 0.00 0.00 0.00 175.76 174.73 1pkk s GLN 113 N -2.49 2.50 -0.07 0.00 0.74 0.44 0.14 119.66 120.92 1pkk s GLN 113 Ca 0.13 -0.73 -0.14 0.00 0.05 0.00 0.00 55.36 54.66 1pkk s GLN 113 Cb -0.07 -1.97 -0.05 0.00 1.10 0.00 0.00 33.01 32.02 1pkk s GLN 113 CO 0.06 0.17 0.37 -0.47 -0.55 0.00 0.00 175.29 174.87 1pkk s TYR 114 N 0.32 3.61 -0.02 1.67 6.14 -0.37 -0.91 117.35 127.80 1pkk s TYR 114 Ca -0.14 0.83 0.03 0.00 0.64 0.00 0.00 57.07 58.43 1pkk s TYR 114 Cb -0.16 -2.32 -0.00 0.00 0.42 0.00 0.00 41.96 39.89 1pkk s TYR 114 CO 0.06 0.46 -0.10 -1.14 0.64 0.00 0.00 175.55 175.47 1pkk s GLN 115 N -0.36 0.94 0.54 4.97 0.74 0.11 -4.43 119.66 122.18 1pkk s GLN 115 Ca 0.22 -0.35 -0.19 0.00 0.05 0.00 0.00 55.36 55.08 1pkk s GLN 115 Cb -0.15 -0.89 -0.06 0.00 1.10 0.00 0.00 33.01 33.01 1pkk s GLN 115 CO 0.10 0.17 1.13 0.20 -0.55 0.00 0.00 175.29 176.34 1pkk s GLY 116 N -0.01 2.64 0.29 2.59 0.00 -1.26 -0.35 107.32 111.22 1pkk s GLY 116 Ca 0.00 0.84 -0.30 0.00 0.00 0.00 0.00 44.72 45.26 1pkk s GLY 116 CO 0.00 1.20 1.45 -2.13 0.00 0.00 0.00 173.10 173.62 1pkk n ARG 117 N -1.30 2.32 -0.08 2.90 0.63 -0.43 -4.75 116.66 115.94 1pkk n ARG 117 Ca 0.12 0.82 -0.06 0.00 -0.92 0.00 0.00 57.85 57.80 1pkk n ARG 117 Cb 0.51 -2.51 0.00 0.00 0.45 0.00 0.00 32.46 30.91 1pkk n ARG 117 CO 0.00 0.00 0.00 0.77 -2.51 0.00 0.00 177.63 175.89 1pkk h SER 118 N 3.99 -0.10 -0.66 6.15 0.02 -1.92 -1.22 113.55 119.81 1pkk h SER 118 Ca -0.46 0.07 0.08 0.00 -0.84 0.00 0.00 61.79 60.64 1pkk h SER 118 Cb 1.26 0.12 -0.04 0.00 0.14 0.00 0.00 62.40 63.87 1pkk h SER 118 CO 0.73 -0.02 0.44 0.77 -1.14 0.00 0.00 176.83 177.62 1pkk h SER 119 N 0.10 0.51 0.44 3.07 4.64 -1.99 -1.18 113.55 119.14 1pkk h SER 119 Ca 0.15 0.01 -0.23 0.00 -0.47 0.00 0.00 61.79 61.25 1pkk h SER 119 Cb 0.19 -0.10 -0.00 0.00 -0.31 0.00 0.00 62.40 62.18 1pkk h SER 119 CO -0.24 0.32 -0.97 -0.07 -0.87 0.00 0.00 176.83 174.99 1pkk h LEU 120 N 0.57 0.45 -0.98 5.97 3.38 -1.72 -3.17 115.31 119.83 1pkk h LEU 120 Ca 0.30 -0.38 -0.02 0.00 0.09 0.00 0.00 57.88 57.87 1pkk h LEU 120 Cb 0.42 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.99 1pkk h LEU 120 CO -0.10 1.20 0.48 1.23 0.09 0.00 0.00 178.44 181.34 1pkk h GLY 121 N 1.42 1.28 2.00 0.83 0.00 -0.12 -1.03 103.07 107.45 1pkk h GLY 121 Ca -0.08 -0.57 0.00 0.00 0.00 0.00 0.00 47.33 46.68 1pkk h GLY 121 CO 0.16 0.55 0.00 3.21 0.00 0.00 0.00 176.54 180.46 1pkk h ARG 122 N 1.20 0.00 -0.30 4.80 3.08 -1.23 0.06 114.38 121.99 1pkk h ARG 122 Ca 0.30 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.34 1pkk h ARG 122 Cb 0.02 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.06 1pkk h ARG 122 CO -0.05 0.00 0.01 1.33 -1.07 0.00 0.00 179.97 180.19 1pkk n VAL 123 N -2.49 2.36 -2.97 2.04 0.24 -0.53 -4.96 118.33 112.02 1pkk n VAL 123 Ca -0.00 -1.90 -0.22 0.00 -2.04 0.00 0.00 64.34 60.18 1pkk n VAL 123 Cb 0.13 -0.27 0.03 0.00 -1.47 0.00 0.00 33.84 32.26 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 -0.46 -1.89 -4.13 6.34 3.72 0.01 -4.70 117.46 116.34 1pkk n PHE 124 Ca 0.23 0.48 -0.35 0.00 -0.05 0.00 0.00 57.45 57.76 1pkk n PHE 124 Cb 0.94 -4.47 -0.13 0.00 -0.94 0.00 0.00 39.48 34.88 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 -6.64 3.04 0.08 4.37 1.98 -0.51 -0.92 118.68 120.08 1pkk s LEU 125 Ca 0.28 -0.29 0.08 0.00 -2.89 0.00 0.00 54.13 51.31 1pkk s LEU 125 Cb -0.12 -1.76 -0.04 0.00 0.66 0.00 0.00 46.19 44.93 1pkk s LEU 125 CO 0.34 0.05 -0.17 0.42 -1.89 0.00 0.00 176.35 175.11 1pkk s THR 126 N 1.05 2.92 -0.06 3.68 -4.23 -0.46 -3.63 115.64 114.91 1pkk s THR 126 Ca 0.01 -1.33 0.09 0.00 -1.18 0.00 0.00 61.69 59.28 1pkk s THR 126 Cb -0.15 -2.30 0.13 0.00 1.34 0.00 0.00 72.50 71.53 1pkk s THR 126 CO 0.00 0.20 1.07 -1.54 -0.54 0.00 0.00 174.62 173.81 1pkk n SER 127 N 1.10 2.15 -3.64 3.99 3.41 -1.24 -1.63 113.62 117.77 1pkk n SER 127 Ca -0.16 -2.50 -0.05 0.00 -0.26 0.00 0.00 58.87 55.90 1pkk n SER 127 Cb 0.52 -0.20 -0.07 0.00 -0.26 0.00 0.00 64.21 64.21 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 -1.86 -1.01 0.00 7.33 2.46 -0.71 -0.84 115.29 120.66 1pkk s HIS 128 Ca 0.15 1.99 0.04 0.00 0.47 0.00 0.00 55.06 57.71 1pkk s HIS 128 Cb 0.13 0.61 -0.25 0.00 -0.13 0.00 0.00 32.58 32.94 1pkk s HIS 128 CO 0.01 -0.50 0.85 1.96 -2.47 0.00 0.00 174.74 174.59 1pkk h GLN 129 N 6.97 0.11 -6.84 2.88 1.08 -1.95 -3.48 115.11 113.89 1pkk h GLN 129 Ca -0.28 -0.19 -0.47 0.00 -1.45 0.00 0.00 58.65 56.26 1pkk h GLN 129 Cb 1.21 0.07 0.05 0.00 -0.05 0.00 0.00 27.48 28.76 1pkk h GLN 129 CO 0.16 0.89 -0.02 0.95 -0.95 0.00 0.00 178.83 179.85 1pkk s THR 130 N -2.63 2.30 0.43 -0.54 -4.23 -1.26 -4.98 115.64 104.73 1pkk s THR 130 Ca -0.06 -0.79 0.15 0.00 -1.18 0.00 0.00 61.69 59.81 1pkk s THR 130 Cb 0.08 -2.51 0.35 0.00 1.34 0.00 0.00 72.50 71.76 1pkk s THR 130 CO 0.83 0.00 1.94 0.00 -0.54 0.00 0.00 174.62 176.85 1pkk h ALA 131 N -0.08 2.09 0.00 3.99 0.00 -1.93 -3.46 119.26 119.86 1pkk h ALA 131 Ca -0.35 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1pkk h ALA 131 Cb 1.28 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1pkk h ALA 131 CO 0.42 -0.27 0.00 0.41 0.00 0.00 0.00 179.25 179.81 1pkk n GLY 132 N -1.52 0.87 3.76 0.00 0.00 -1.26 -4.55 105.19 102.48 1pkk n GLY 132 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.05 3.00 -0.13 1.61 0.52 -1.26 -1.23 118.94 119.40 1pkk s TRP 133 Ca 0.00 1.25 0.02 0.00 0.02 0.00 0.00 56.10 57.39 1pkk s TRP 133 Cb 0.00 -3.76 -0.00 0.00 -1.15 0.00 0.00 33.47 28.56 1pkk s TRP 133 CO 0.00 -2.25 -0.20 0.42 0.02 0.00 0.00 176.95 174.94 1pkk s ILE 134 N -0.70 2.36 0.50 2.03 1.01 0.38 -4.95 121.20 121.84 1pkk s ILE 134 Ca 0.53 -0.90 -0.23 0.00 0.00 0.00 0.00 60.65 60.06 1pkk s ILE 134 Cb -0.41 -1.95 -0.07 0.00 0.01 0.00 0.00 42.46 40.04 1pkk s ILE 134 CO 0.50 0.54 1.20 0.47 0.00 0.00 0.00 174.94 177.65 1pkk n ASP 135 N 3.76 2.04 -4.76 3.58 8.00 -1.26 -2.63 116.55 125.28 1pkk n ASP 135 Ca -0.19 0.99 -0.39 0.00 0.71 0.00 0.00 54.79 55.91 1pkk n ASP 135 Cb 0.52 -1.48 0.01 0.00 -0.02 0.00 0.00 41.12 40.15 1pkk n ASP 135 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1pkk s ALA 136 N -1.31 3.12 0.00 2.24 0.00 -1.25 -1.98 121.76 122.59 1pkk s ALA 136 Ca 0.68 1.29 0.00 0.00 0.00 0.00 0.00 51.96 53.93 1pkk s ALA 136 Cb -0.46 -3.52 0.00 0.00 0.00 0.00 0.00 23.12 19.13 1pkk s ALA 136 CO 0.52 -1.05 0.00 0.41 0.00 0.00 0.00 175.76 175.65 1pkk n GLY 137 N 0.63 1.45 3.72 0.00 0.00 -0.76 -4.84 105.19 105.39 1pkk n GLY 137 Ca 0.06 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.69 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 2.04 -3.77 1.61 7.35 -0.84 -4.63 117.46 117.22 1pkk n PHE 138 Ca 0.00 0.44 -0.15 0.00 -0.76 0.00 0.00 57.45 56.98 1pkk n PHE 138 Cb 0.00 -2.33 -0.16 0.00 0.35 0.00 0.00 39.48 37.34 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 -2.79 -0.03 0.00 -4.13 1.02 -1.26 -0.52 119.74 112.03 1pkk s LYS 139 Ca 0.71 0.20 0.00 0.00 0.02 0.00 0.00 55.97 56.91 1pkk s LYS 139 Cb -0.43 -0.24 0.00 0.00 -0.52 0.00 0.00 37.83 36.64 1pkk s LYS 139 CO 0.50 -0.17 0.00 0.41 -0.92 0.00 0.00 175.35 175.17 1pkk n GLY 140 N 4.16 1.06 3.92 -3.33 0.00 0.37 -4.99 105.19 106.40 1pkk n GLY 140 Ca -0.27 -1.88 -0.26 0.00 0.00 0.00 0.00 46.02 43.60 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 -1.15 2.95 -0.18 1.61 1.02 -1.26 -0.74 119.74 121.98 1pkk s LYS 141 Ca 0.00 -0.10 -0.16 0.00 0.02 0.00 0.00 55.97 55.73 1pkk s LYS 141 Cb 0.00 -2.33 -0.04 0.00 -0.52 0.00 0.00 37.83 34.94 1pkk s LYS 141 CO 0.00 -0.62 0.39 0.42 -0.92 0.00 0.00 175.35 174.62 1pkk s ILE 142 N -2.91 5.22 -0.01 2.17 -1.09 -1.26 -4.94 121.20 118.38 1pkk s ILE 142 Ca 0.53 0.71 -0.29 0.00 -2.23 0.00 0.00 60.65 59.37 1pkk s ILE 142 Cb -0.10 -3.72 -0.03 0.00 -1.58 0.00 0.00 42.46 37.02 1pkk s ILE 142 CO 0.44 0.29 0.92 -0.89 -1.23 0.00 0.00 174.94 174.47 1pkk s THR 143 N 1.06 4.89 -0.15 2.92 2.01 -1.26 -1.54 115.64 123.57 1pkk s THR 143 Ca 0.19 1.94 -0.06 0.00 0.31 0.00 0.00 61.69 64.07 1pkk s THR 143 Cb -0.14 -4.26 -0.04 0.00 0.01 0.00 0.00 72.50 68.06 1pkk s THR 143 CO 0.07 0.18 0.07 -0.76 -0.69 0.00 0.00 174.62 173.50 1pkk s LEU 144 N 0.93 3.90 -0.59 4.42 1.43 0.23 -4.95 118.68 124.06 1pkk s LEU 144 Ca 0.49 0.18 -0.08 0.00 -1.03 0.00 0.00 54.13 53.68 1pkk s LEU 144 Cb -0.20 -1.96 0.15 0.00 0.03 0.00 0.00 46.19 44.20 1pkk s LEU 144 CO 0.26 0.26 0.46 -1.61 0.23 0.00 0.00 176.35 175.95 1pkk s GLU 145 N -0.13 2.73 -0.18 1.70 2.02 -0.02 -0.45 118.70 124.37 1pkk s GLU 145 Ca 0.07 -2.12 -0.16 0.00 0.02 0.00 0.00 54.97 52.78 1pkk s GLU 145 Cb -0.12 -3.98 -0.04 0.00 0.10 0.00 0.00 34.13 30.09 1pkk s GLU 145 CO 0.01 -1.21 0.40 0.42 0.02 0.00 0.00 175.26 174.90 1pkk s ILE 146 N 0.73 5.21 -0.10 -1.63 1.01 -0.43 -1.74 121.20 124.24 1pkk s ILE 146 Ca 0.11 0.73 -0.09 0.00 0.00 0.00 0.00 60.65 61.41 1pkk s ILE 146 Cb -0.21 -3.73 0.03 0.00 0.01 0.00 0.00 42.46 38.55 1pkk s ILE 146 CO -0.03 0.28 0.26 -0.69 0.00 0.00 0.00 174.94 174.77 1pkk s VAL 147 N 1.06 -0.01 -0.12 2.92 1.01 -0.64 -1.82 120.40 122.81 1pkk s VAL 147 Ca 0.20 0.02 -0.03 0.00 0.00 0.00 0.00 61.98 62.17 1pkk s VAL 147 Cb -0.15 -0.38 -0.03 0.00 0.00 0.00 0.00 36.38 35.82 1pkk s VAL 147 CO 0.08 0.01 0.01 0.00 0.00 0.00 0.00 175.10 175.19 1pkk s ALA 148 N 0.33 3.26 -1.17 5.51 0.00 -1.26 -1.35 121.76 127.08 1pkk s ALA 148 Ca -0.02 -0.79 0.10 0.00 0.00 0.00 0.00 51.96 51.25 1pkk s ALA 148 Cb -0.03 -1.58 0.06 0.00 0.00 0.00 0.00 23.12 21.57 1pkk s ALA 148 CO -0.01 0.45 0.76 1.19 0.00 0.00 0.00 175.76 178.15 1pkk n PHE 149 N 2.64 0.00 0.02 0.00 3.72 -0.10 -4.07 117.46 119.66 1pkk n PHE 149 Ca -0.18 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.22 1pkk n PHE 149 Cb 0.53 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.07 1pkk n PHE 149 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1pkk n ASP 150 N 0.32 0.14 -4.25 4.37 2.03 -1.26 -5.04 116.55 112.85 1pkk n ASP 150 Ca 0.05 0.05 -0.14 0.00 0.52 0.00 0.00 54.79 55.27 1pkk n ASP 150 Cb 0.24 -0.02 -0.10 0.00 -0.72 0.00 0.00 41.12 40.52 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 -1.19 1.21 0.46 -0.67 1.02 -1.26 -4.88 119.74 114.43 1pkk s LYS 151 Ca 0.00 -1.62 -0.24 0.00 0.02 0.00 0.00 55.97 54.13 1pkk s LYS 151 Cb 0.00 -0.15 -0.09 0.00 -0.52 0.00 0.00 37.83 37.07 1pkk s LYS 151 CO 0.00 -0.23 1.18 -2.30 -0.92 0.00 0.00 175.35 173.08 1pkk n PRO 152 N -0.31 1.63 -4.59 -1.68 -0.02 -1.26 -4.66 135.00 124.11 1pkk n PRO 152 Ca -0.03 0.59 -0.24 0.00 -2.02 0.00 0.00 63.50 61.80 1pkk n PRO 152 Cb 0.65 -2.30 -0.16 0.00 -0.02 0.00 0.00 33.50 31.66 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 -1.27 1.12 -0.09 -1.45 1.01 0.02 -4.94 120.40 114.79 1pkk s VAL 153 Ca 0.65 -0.50 -0.22 0.00 0.00 0.00 0.00 61.98 61.90 1pkk s VAL 153 Cb -0.50 -1.00 -0.03 0.00 0.00 0.00 0.00 36.38 34.85 1pkk s VAL 153 CO 0.55 0.34 0.67 -0.63 0.00 0.00 0.00 175.10 176.03 1pkk s ILE 154 N 0.44 5.06 -0.03 2.22 1.01 -1.26 -0.87 121.20 127.76 1pkk s ILE 154 Ca -0.10 1.36 0.05 0.00 0.00 0.00 0.00 60.65 61.96 1pkk s ILE 154 Cb -0.13 -4.00 -0.03 0.00 0.01 0.00 0.00 42.46 38.31 1pkk s ILE 154 CO 0.03 0.24 -0.17 -0.76 0.00 0.00 0.00 174.94 174.27 1pkk s LEU 155 N 0.96 2.56 -0.08 2.97 1.43 0.08 -4.97 118.68 121.63 1pkk s LEU 155 Ca 0.35 -0.28 0.00 0.00 -1.03 0.00 0.00 54.13 53.17 1pkk s LEU 155 Cb -0.17 -1.50 -0.03 0.00 0.03 0.00 0.00 46.19 44.52 1pkk s LEU 155 CO 0.16 0.33 -0.07 -0.31 0.23 0.00 0.00 176.35 176.69 1pkk s TYR 156 N -0.73 2.94 0.36 0.29 2.02 -1.26 -1.12 117.35 119.84 1pkk s TYR 156 Ca 0.11 -0.07 -0.27 0.00 -0.37 0.00 0.00 57.07 56.47 1pkk s TYR 156 Cb -0.10 -1.75 -0.12 0.00 -0.40 0.00 0.00 41.96 39.59 1pkk s TYR 156 CO 0.01 0.24 1.27 1.17 -1.57 0.00 0.00 175.55 176.67 1pkk n LYS 157 N 2.50 2.05 -0.75 -0.62 4.81 0.97 -2.00 118.16 125.12 1pkk n LYS 157 Ca -0.18 0.72 0.00 0.00 -0.87 0.00 0.00 58.31 57.98 1pkk n LYS 157 Cb 0.53 -2.33 0.00 0.00 0.02 0.00 0.00 35.03 33.25 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 0.64 -0.78 -4.80 3.14 5.03 0.11 -4.96 115.26 113.64 1pkk n ASN 158 Ca 0.05 0.00 -0.32 0.00 0.87 0.00 0.00 54.58 55.18 1pkk n ASN 158 Cb 0.37 -1.60 0.02 0.00 -1.02 0.00 0.00 39.78 37.55 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 -0.69 3.17 0.18 3.52 -2.07 -0.85 -4.51 119.66 118.42 1pkk s GLN 159 Ca 0.00 1.17 -0.31 0.00 -1.82 0.00 0.00 55.36 54.40 1pkk s GLN 159 Cb 0.00 -2.01 -0.09 0.00 -1.09 0.00 0.00 33.01 29.81 1pkk s GLN 159 CO 0.00 -0.93 1.45 1.03 -1.32 0.00 0.00 175.29 175.52 1pkk s ARG 160 N -4.28 4.28 -0.01 9.60 0.52 -1.26 -1.12 118.95 126.68 1pkk s ARG 160 Ca 0.63 2.23 0.03 0.00 -0.52 0.00 0.00 55.73 58.09 1pkk s ARG 160 Cb -0.16 -3.17 -0.04 0.00 0.52 0.00 0.00 34.95 32.10 1pkk s ARG 160 CO 0.41 -0.46 0.05 1.51 0.02 0.00 0.00 175.30 176.84 1pkk n ILE 161 N 3.25 0.03 -3.35 1.52 0.13 -0.57 -4.86 119.36 115.52 1pkk n ILE 161 Ca 0.10 -0.07 0.00 0.00 -1.10 0.00 0.00 62.75 61.67 1pkk n ILE 161 Cb 0.41 0.19 0.00 0.00 -0.84 0.00 0.00 39.64 39.39 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 2.43 1.08 3.13 4.50 0.00 -1.22 -1.31 105.19 113.79 1pkk n GLY 162 Ca -0.01 -0.79 -0.08 0.00 0.00 0.00 0.00 46.02 45.13 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 -1.00 0.67 -0.15 1.61 1.11 0.53 -1.11 119.66 121.32 1pkk s GLN 163 Ca 0.00 -1.04 -0.02 0.00 0.01 0.00 0.00 55.36 54.32 1pkk s GLN 163 Cb 0.00 0.25 -0.02 0.00 -1.01 0.00 0.00 33.01 32.23 1pkk s GLN 163 CO 0.00 -0.16 -0.09 -0.51 0.01 0.00 0.00 175.29 174.53 1pkk s LEU 164 N -2.72 2.90 -0.18 2.90 1.43 0.06 -0.71 118.68 122.37 1pkk s LEU 164 Ca 0.04 -0.27 -0.04 0.00 -1.03 0.00 0.00 54.13 52.82 1pkk s LEU 164 Cb 0.05 -1.68 -0.02 0.00 0.03 0.00 0.00 46.19 44.57 1pkk s LEU 164 CO -0.09 0.15 -0.03 -0.63 0.23 0.00 0.00 176.35 175.98 1pkk s ILE 165 N 0.45 3.82 -0.16 -0.59 1.09 -0.08 -1.28 121.20 124.45 1pkk s ILE 165 Ca -0.07 -0.37 -0.07 0.00 -1.10 0.00 0.00 60.65 59.04 1pkk s ILE 165 Cb -0.15 -2.70 -0.04 0.00 -1.06 0.00 0.00 42.46 38.50 1pkk s ILE 165 CO 0.04 0.46 0.10 -0.36 -0.10 0.00 0.00 174.94 175.07 1pkk s PHE 166 N 0.77 3.39 0.03 3.97 0.08 -1.26 -0.42 117.98 124.54 1pkk s PHE 166 Ca -0.01 0.30 0.08 0.00 0.12 0.00 0.00 56.93 57.42 1pkk s PHE 166 Cb -0.14 -2.02 -0.02 0.00 -0.57 0.00 0.00 43.02 40.26 1pkk s PHE 166 CO 0.02 0.41 -0.24 0.45 -0.10 0.00 0.00 175.22 175.76 1pkk s SER 167 N -0.23 2.85 0.39 1.36 0.15 0.68 -0.92 113.70 117.98 1pkk s SER 167 Ca 0.09 -0.53 -0.23 0.00 0.70 0.00 0.00 55.95 55.99 1pkk s SER 167 Cb -0.12 -0.27 -0.10 0.00 -1.71 0.00 0.00 66.02 63.82 1pkk s SER 167 CO 0.01 0.24 0.96 -0.54 1.20 0.00 0.00 173.24 175.11 1pkk s LYS 168 N -1.04 4.34 0.24 5.44 -0.14 -0.15 -1.38 119.74 127.05 1pkk s LYS 168 Ca 0.10 1.25 -0.06 0.00 -1.36 0.00 0.00 55.97 55.90 1pkk s LYS 168 Cb -0.09 -2.45 -0.06 0.00 -1.68 0.00 0.00 37.83 33.55 1pkk s LYS 168 CO 0.01 0.06 0.51 -0.51 -0.76 0.00 0.00 175.35 174.66 1pkk s LEU 169 N -2.70 4.13 0.34 3.17 1.43 -0.34 -4.65 118.68 120.06 1pkk s LEU 169 Ca 0.57 0.73 0.07 0.00 -1.03 0.00 0.00 54.13 54.47 1pkk s LEU 169 Cb -0.14 -3.51 0.63 0.00 0.03 0.00 0.00 46.19 43.19 1pkk s LEU 169 CO 0.19 -0.11 1.82 0.25 0.23 0.00 0.00 176.35 178.73 1pkk h LEU 170 N 2.13 0.28 -8.06 1.79 5.85 -1.97 -3.45 115.31 111.88 1pkk h LEU 170 Ca -0.47 -0.08 -0.11 0.00 0.84 0.00 0.00 57.88 58.06 1pkk h LEU 170 Cb 1.18 -0.08 -0.14 0.00 0.37 0.00 0.00 40.66 42.00 1pkk h LEU 170 CO 0.68 0.51 -0.42 -0.44 -0.34 0.00 0.00 178.44 178.44 1pkk s SER 171 N -6.86 0.15 0.39 1.25 0.01 -1.26 -5.14 113.70 102.23 1pkk s SER 171 Ca -0.05 -0.86 -0.26 0.00 1.31 0.00 0.00 55.95 56.08 1pkk s SER 171 Cb 0.15 0.36 -0.09 0.00 0.21 0.00 0.00 66.02 66.65 1pkk s SER 171 CO 0.75 -0.79 1.27 -2.84 0.41 0.00 0.00 173.24 172.05 1pkk s PRO 172 N -3.94 4.08 0.49 12.44 0.02 -1.26 -4.81 135.00 142.01 1pkk s PRO 172 Ca 0.13 2.10 0.01 0.00 0.02 0.00 0.00 61.00 63.27 1pkk s PRO 172 Cb 0.05 -2.81 0.01 0.00 0.02 0.00 0.00 34.50 31.77 1pkk s PRO 172 CO -0.04 -0.38 0.70 0.00 -0.33 0.00 0.00 177.00 176.94 1pkk s ALA 173 N -1.26 3.87 -1.14 -1.55 0.00 0.20 -5.01 121.76 116.87 1pkk s ALA 173 Ca 0.55 -1.21 -0.08 0.00 0.00 0.00 0.00 51.96 51.21 1pkk s ALA 173 Cb -0.37 -2.07 0.26 0.00 0.00 0.00 0.00 23.12 20.94 1pkk s ALA 173 CO 0.48 -0.51 1.36 -0.25 0.00 0.00 0.00 175.76 176.83 1pkk n ASP 174 N -2.16 5.72 -2.24 0.00 9.92 -1.26 -4.88 116.55 121.65 1pkk n ASP 174 Ca 0.04 -3.15 -0.07 0.00 -0.53 0.00 0.00 54.79 51.08 1pkk n ASP 174 Cb 0.59 -1.39 -0.09 0.00 -0.64 0.00 0.00 41.12 39.59 1pkk n ASP 174 CO 0.00 0.00 0.00 1.33 0.13 0.00 0.00 177.20 178.66 1pkk n VAL 175 N 2.61 1.67 0.25 2.53 0.24 -1.26 -4.51 118.33 119.86 1pkk n VAL 175 Ca 0.28 -0.84 0.08 0.00 -2.04 0.00 0.00 64.34 61.83 1pkk n VAL 175 Cb 0.37 -1.78 0.63 0.00 -1.47 0.00 0.00 33.84 31.59 1pkk n VAL 175 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 1pkk h GLY 176 N 5.50 0.00 -0.22 7.63 0.00 -1.96 -3.49 103.07 110.52 1pkk h GLY 176 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.44 1pkk h GLY 176 CO 0.37 0.00 0.00 2.98 0.00 0.00 0.00 176.54 179.89