#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pkd h MET 1 N 0.00 0.00 -0.97 1.43 0.00 -1.99 -3.03 114.93 110.36 1pkd h MET 1 Ca 0.00 0.00 0.22 0.00 0.00 0.00 0.00 59.70 59.92 1pkd h MET 1 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 31.60 31.48 1pkd h MET 1 CO 0.00 0.36 0.55 1.49 0.00 0.00 0.00 176.91 179.31 1pkd h GLU 2 N 0.00 0.57 -0.13 1.72 4.81 -2.07 -2.81 114.58 116.67 1pkd h GLU 2 Ca -0.00 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 1pkd h GLU 2 Cb 0.80 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 30.05 1pkd h GLU 2 CO 0.05 0.38 0.00 0.09 -0.73 0.00 0.00 179.01 178.79 1pkd n ASN 3 N -4.89 1.80 -4.45 1.04 3.02 -1.14 -4.82 115.26 105.81 1pkd n ASN 3 Ca 0.25 -1.68 -0.35 0.00 -0.03 0.00 0.00 54.58 52.77 1pkd n ASN 3 Cb 0.67 -0.08 -0.12 0.00 -0.61 0.00 0.00 39.78 39.64 1pkd n ASN 3 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1pkd s PHE 4 N -1.84 3.05 -0.33 3.10 0.08 -1.06 0.42 117.98 121.39 1pkd s PHE 4 Ca 0.34 -0.45 -0.15 0.00 0.12 0.00 0.00 56.93 56.80 1pkd s PHE 4 Cb 0.19 -2.11 -0.02 0.00 -0.57 0.00 0.00 43.02 40.52 1pkd s PHE 4 CO 0.29 -0.25 0.35 -1.14 -0.10 0.00 0.00 175.22 174.37 1pkd s GLN 5 N 1.07 3.63 0.19 0.44 2.00 0.14 -4.91 119.66 122.21 1pkd s GLN 5 Ca 0.02 -0.37 -0.30 0.00 -2.00 0.00 0.00 55.36 52.72 1pkd s GLN 5 Cb -0.14 -3.78 -0.08 0.00 0.80 0.00 0.00 33.01 29.80 1pkd s GLN 5 CO 0.02 -0.48 1.23 0.15 -0.50 0.00 0.00 175.29 175.71 1pkd s LYS 6 N 2.01 4.45 -0.16 1.67 1.02 -1.26 -0.55 119.74 126.92 1pkd s LYS 6 Ca 0.12 1.93 0.03 0.00 0.02 0.00 0.00 55.97 58.07 1pkd s LYS 6 Cb -0.16 -3.23 -0.12 0.00 -0.52 0.00 0.00 37.83 33.80 1pkd s LYS 6 CO 0.11 -0.15 -0.12 0.28 -0.92 0.00 0.00 175.35 174.55 1pkd n VAL 7 N 2.58 0.96 0.00 3.17 0.31 0.24 -4.93 118.33 120.66 1pkd n VAL 7 Ca 0.05 -0.40 0.00 0.00 -0.01 0.00 0.00 64.34 63.98 1pkd n VAL 7 Cb 0.44 -1.04 0.00 0.00 -0.91 0.00 0.00 33.84 32.33 1pkd n VAL 7 CO 0.00 0.00 0.00 -1.84 -1.32 0.00 0.00 176.83 173.67 1pkd n GLU 8 N -2.93 0.00 -2.57 5.55 0.28 -1.19 -5.01 120.64 114.77 1pkd n GLU 8 Ca -0.29 0.00 -0.41 0.00 -0.16 0.00 0.00 57.16 56.30 1pkd n GLU 8 Cb 0.83 0.00 -0.04 0.00 1.43 0.00 0.00 31.44 33.66 1pkd n GLU 8 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 177.13 177.18 1pkd s LYS 9 N -2.00 4.60 0.00 3.44 2.36 -1.26 -0.64 119.74 126.24 1pkd s LYS 9 Ca 0.00 1.64 0.00 0.00 -2.55 0.00 0.00 55.97 55.06 1pkd s LYS 9 Cb 0.00 -3.32 0.00 0.00 -1.05 0.00 0.00 37.83 33.46 1pkd s LYS 9 CO 0.00 0.07 0.15 0.44 1.55 0.00 0.00 175.35 177.57 1pkd n ILE 10 N 2.71 0.00 -3.79 5.43 -5.35 -0.14 -4.87 119.36 113.34 1pkd n ILE 10 Ca 0.03 -0.45 0.02 0.00 -0.27 0.00 0.00 62.75 62.08 1pkd n ILE 10 Cb 0.47 1.03 0.00 0.00 -1.74 0.00 0.00 39.64 39.41 1pkd n ILE 10 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1pkd s GLY 11 N -0.59 -0.26 -0.28 3.28 0.00 -1.12 -5.00 107.32 103.35 1pkd s GLY 11 Ca 0.00 0.35 -0.22 0.00 0.00 0.00 0.00 44.72 44.84 1pkd s GLY 11 CO 0.00 2.62 0.97 1.85 0.00 0.00 0.00 173.10 178.54 1pkd s GLU 12 N -2.24 0.52 0.00 2.90 2.12 -1.26 -2.05 118.70 118.69 1pkd s GLU 12 Ca 0.21 0.69 0.00 0.00 0.36 0.00 0.00 54.97 56.23 1pkd s GLU 12 Cb 0.02 0.21 0.00 0.00 0.26 0.00 0.00 34.13 34.62 1pkd s GLU 12 CO -0.02 -0.07 0.00 0.41 -0.54 0.00 0.00 175.26 175.04 1pkd n GLY 13 N 2.73 5.42 0.11 -1.50 0.00 -0.42 -5.00 105.19 106.54 1pkd n GLY 13 Ca -0.14 -2.06 -0.12 0.00 0.00 0.00 0.00 46.02 43.70 1pkd n GLY 13 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1pkd h THR 14 N 0.62 1.28 0.00 2.61 2.02 -2.02 -3.37 112.91 114.05 1pkd h THR 14 Ca 0.00 -0.93 -0.40 0.00 0.77 0.00 0.00 66.41 65.85 1pkd h THR 14 Cb 0.00 1.61 -0.07 0.00 -1.74 0.00 0.00 68.15 67.95 1pkd h THR 14 CO 0.00 0.27 -2.47 -1.22 0.37 0.00 0.00 175.52 172.47 1pkd n TYR 15 N -4.73 0.04 -2.59 3.16 4.01 -1.26 -5.00 117.16 110.79 1pkd n TYR 15 Ca -0.06 0.01 -0.32 0.00 -0.16 0.00 0.00 57.90 57.37 1pkd n TYR 15 Cb 0.24 -1.01 -0.04 0.00 -0.31 0.00 0.00 39.34 38.22 1pkd n TYR 15 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 1pkd s GLY 16 N -6.29 2.15 -0.04 2.72 0.00 -1.25 -3.28 107.32 101.33 1pkd s GLY 16 Ca -0.35 0.19 0.01 0.00 0.00 0.00 0.00 44.72 44.57 1pkd s GLY 16 CO 0.58 0.46 -0.06 0.14 0.00 0.00 0.00 173.10 174.23 1pkd s VAL 17 N -2.45 0.59 -0.22 1.40 1.01 -0.11 -1.30 120.40 119.31 1pkd s VAL 17 Ca 0.59 -0.18 -0.08 0.00 0.00 0.00 0.00 61.98 62.31 1pkd s VAL 17 Cb -0.10 -0.59 -0.04 0.00 0.00 0.00 0.00 36.38 35.66 1pkd s VAL 17 CO 0.26 0.22 0.09 -0.69 0.00 0.00 0.00 175.10 174.98 1pkd s VAL 18 N 0.71 4.76 0.06 2.92 1.01 -0.87 -0.66 120.40 128.33 1pkd s VAL 18 Ca -0.10 -0.03 0.06 0.00 0.00 0.00 0.00 61.98 61.91 1pkd s VAL 18 Cb -0.13 -3.20 -0.04 0.00 0.00 0.00 0.00 36.38 33.02 1pkd s VAL 18 CO 0.01 0.38 -0.11 -0.31 0.00 0.00 0.00 175.10 175.06 1pkd s TYR 19 N 1.03 2.74 0.03 5.22 1.51 0.59 -0.97 117.35 127.51 1pkd s TYR 19 Ca 0.05 -0.15 -0.29 0.00 -1.01 0.00 0.00 57.07 55.67 1pkd s TYR 19 Cb -0.14 -1.49 -0.04 0.00 -0.11 0.00 0.00 41.96 40.18 1pkd s TYR 19 CO 0.03 0.37 0.92 0.21 -1.11 0.00 0.00 175.55 175.97 1pkd s LYS 20 N -1.82 4.58 0.05 -0.62 2.20 0.19 -0.40 119.74 123.92 1pkd s LYS 20 Ca 0.19 1.33 -0.05 0.00 -0.36 0.00 0.00 55.97 57.07 1pkd s LYS 20 Cb -0.11 -3.42 -0.01 0.00 -1.51 0.00 0.00 37.83 32.78 1pkd s LYS 20 CO 0.10 0.09 0.09 0.00 -0.36 0.00 0.00 175.35 175.27 1pkd s ALA 21 N 0.53 -0.01 -0.15 3.13 0.00 0.72 -0.59 121.76 125.40 1pkd s ALA 21 Ca 0.47 -0.65 0.00 0.00 0.00 0.00 0.00 51.96 51.78 1pkd s ALA 21 Cb -0.21 0.29 -0.01 0.00 0.00 0.00 0.00 23.12 23.19 1pkd s ALA 21 CO 0.27 -0.35 -0.15 0.50 0.00 0.00 0.00 175.76 176.03 1pkd s ARG 22 N -2.98 3.26 -0.18 0.00 3.52 0.29 0.88 118.95 123.74 1pkd s ARG 22 Ca -0.02 -0.74 -0.29 0.00 -0.13 0.00 0.00 55.73 54.55 1pkd s ARG 22 Cb 0.01 -2.62 -0.03 0.00 -1.56 0.00 0.00 34.95 30.75 1pkd s ARG 22 CO -0.06 0.08 1.61 1.21 -0.81 0.00 0.00 175.30 177.32 1pkd s ASN 23 N 0.67 6.47 0.34 -2.12 3.84 -0.18 0.23 114.94 124.19 1pkd s ASN 23 Ca -0.07 1.77 0.02 0.00 0.21 0.00 0.00 52.86 54.79 1pkd s ASN 23 Cb -0.16 -2.53 0.62 0.00 -0.55 0.00 0.00 41.25 38.63 1pkd s ASN 23 CO 0.02 -1.16 1.98 0.11 -2.79 0.00 0.00 177.10 175.26 1pkd h LYS 24 N 10.33 0.79 0.15 0.43 1.57 -0.38 -0.36 116.57 129.11 1pkd h LYS 24 Ca -0.35 -0.07 -0.28 0.00 -1.87 0.00 0.00 60.65 58.09 1pkd h LYS 24 Cb 1.16 -0.17 0.01 0.00 0.08 0.00 0.00 32.23 33.31 1pkd h LYS 24 CO 0.99 0.56 -1.35 -0.07 -0.57 0.00 0.00 179.45 179.01 1pkd h LEU 25 N 0.80 0.50 0.00 2.94 3.38 -1.91 -3.38 115.31 117.64 1pkd h LEU 25 Ca 0.21 -0.90 0.00 0.00 0.09 0.00 0.00 57.88 57.28 1pkd h LEU 25 Cb -0.01 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.58 1pkd h LEU 25 CO -0.04 1.61 -1.10 0.35 0.09 0.00 0.00 178.44 179.36 1pkd n THR 26 N -3.88 0.12 0.00 0.22 -2.24 -1.23 -4.98 114.28 102.29 1pkd n THR 26 Ca -0.22 -0.22 0.00 0.00 -2.27 0.00 0.00 64.05 61.35 1pkd n THR 26 Cb 0.94 0.33 0.00 0.00 -2.10 0.00 0.00 70.33 69.50 1pkd n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1pkd n GLY 27 N 1.39 2.72 3.67 3.38 0.00 -0.15 -5.00 105.19 111.19 1pkd n GLY 27 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 1pkd n GLY 27 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1pkd s GLU 28 N -0.11 4.18 0.10 1.61 2.12 -1.25 -4.57 118.70 120.79 1pkd s GLU 28 Ca 0.00 2.26 -0.30 0.00 0.36 0.00 0.00 54.97 57.29 1pkd s GLU 28 Cb 0.00 -3.94 -0.06 0.00 0.26 0.00 0.00 34.13 30.39 1pkd s GLU 28 CO 0.00 -0.84 1.11 0.08 -0.54 0.00 0.00 175.26 175.08 1pkd s VAL 29 N 3.84 4.12 0.22 3.70 1.01 -1.26 -1.01 120.40 131.01 1pkd s VAL 29 Ca 0.75 1.65 0.01 0.00 0.00 0.00 0.00 61.98 64.39 1pkd s VAL 29 Cb -0.35 -4.05 -0.05 0.00 0.00 0.00 0.00 36.38 31.92 1pkd s VAL 29 CO 0.31 0.20 0.06 0.68 0.00 0.00 0.00 175.10 176.35 1pkd s VAL 30 N 0.46 0.59 -0.21 2.92 -7.23 0.25 -4.10 120.40 113.08 1pkd s VAL 30 Ca 0.53 -1.99 -0.06 0.00 -1.81 0.00 0.00 61.98 58.65 1pkd s VAL 30 Cb -0.28 -2.42 -0.03 0.00 0.56 0.00 0.00 36.38 34.22 1pkd s VAL 30 CO 0.31 -0.20 0.04 0.00 -0.31 0.00 0.00 175.10 174.94 1pkd s ALA 31 N -3.73 3.18 -0.25 1.32 0.00 -0.37 -0.20 121.76 121.71 1pkd s ALA 31 Ca 0.32 -0.96 -0.08 0.00 0.00 0.00 0.00 51.96 51.24 1pkd s ALA 31 Cb 0.07 -1.91 -0.04 0.00 0.00 0.00 0.00 23.12 21.25 1pkd s ALA 31 CO 0.10 -0.15 0.10 -0.51 0.00 0.00 0.00 175.76 175.30 1pkd s LEU 32 N 0.99 3.63 -0.38 0.00 1.43 0.46 -0.08 118.68 124.72 1pkd s LEU 32 Ca 0.03 -0.13 -0.14 0.00 -1.03 0.00 0.00 54.13 52.86 1pkd s LEU 32 Cb -0.14 -1.98 0.01 0.00 0.03 0.00 0.00 46.19 44.11 1pkd s LEU 32 CO 0.02 -0.03 0.27 -0.75 0.23 0.00 0.00 176.35 176.10 1pkd s LYS 33 N 1.58 3.10 -0.18 1.70 2.20 0.57 -0.30 119.74 128.41 1pkd s LYS 33 Ca 0.06 -0.92 -0.23 0.00 -0.36 0.00 0.00 55.97 54.52 1pkd s LYS 33 Cb -0.15 -3.89 -0.02 0.00 -1.51 0.00 0.00 37.83 32.26 1pkd s LYS 33 CO 0.06 -0.65 0.73 0.21 -0.36 0.00 0.00 175.35 175.34 1pkd s LYS 34 N 1.67 4.26 -0.20 4.03 2.36 0.16 -0.75 119.74 131.28 1pkd s LYS 34 Ca 0.05 0.83 0.01 0.00 -2.55 0.00 0.00 55.97 54.31 1pkd s LYS 34 Cb -0.19 -3.57 0.03 0.00 -1.05 0.00 0.00 37.83 33.05 1pkd s LYS 34 CO 0.10 -0.28 -0.17 0.42 1.55 0.00 0.00 175.35 176.97 1pkd s ILE 35 N 2.01 2.04 0.09 5.43 1.01 0.93 -0.93 121.20 131.78 1pkd s ILE 35 Ca 0.34 -1.09 -0.31 0.00 0.00 0.00 0.00 60.65 59.59 1pkd s ILE 35 Cb -0.16 -1.93 -0.06 0.00 0.01 0.00 0.00 42.46 40.31 1pkd s ILE 35 CO 0.11 0.38 1.22 -0.13 0.00 0.00 0.00 174.94 176.53 1pkd s ARG 36 N 1.26 4.43 0.63 2.79 0.52 -1.21 -0.99 118.95 126.39 1pkd s ARG 36 Ca 0.01 1.83 0.04 0.00 -0.52 0.00 0.00 55.73 57.09 1pkd s ARG 36 Cb -0.15 -3.31 0.10 0.00 0.52 0.00 0.00 34.95 32.11 1pkd s ARG 36 CO -0.11 -0.25 0.87 -0.51 0.02 0.00 0.00 175.30 175.32 1pkd s LEU 37 N 0.82 3.10 0.00 2.53 1.43 0.55 -4.87 118.68 122.24 1pkd s LEU 37 Ca 0.58 -0.54 0.00 0.00 -1.03 0.00 0.00 54.13 53.14 1pkd s LEU 37 Cb -0.31 -1.94 0.00 0.00 0.03 0.00 0.00 46.19 43.97 1pkd s LEU 37 CO 0.31 -1.53 0.00 0.47 0.23 0.00 0.00 176.35 175.83 1pkd n ASP 38 N -2.50 0.00 0.00 2.29 8.00 -1.24 -4.91 116.55 118.19 1pkd n ASP 38 Ca 0.14 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.64 1pkd n ASP 38 Cb 0.61 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.71 1pkd n ASP 38 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1pkd n THR 39 N -0.14 0.00 -0.01 -3.53 -2.24 -1.26 -4.76 114.28 102.34 1pkd n THR 39 Ca 0.00 0.00 0.04 0.00 -2.27 0.00 0.00 64.05 61.82 1pkd n THR 39 Cb 0.00 0.00 -0.09 0.00 -2.10 0.00 0.00 70.33 68.14 1pkd n THR 39 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1pkd n GLU 40 N -2.00 0.65 0.00 -0.78 4.71 -1.26 -5.00 120.64 116.96 1pkd n GLU 40 Ca 0.00 -0.10 0.00 0.00 -0.01 0.00 0.00 57.16 57.05 1pkd n GLU 40 Cb 0.00 -1.29 0.00 0.00 -1.01 0.00 0.00 31.44 29.14 1pkd n GLU 40 CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 177.13 177.47 1pkd n THR 41 N -2.01 0.00 0.77 2.62 -2.24 -1.26 -5.02 114.28 107.14 1pkd n THR 41 Ca -0.05 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 61.81 1pkd n THR 41 Cb 0.41 0.00 -0.08 0.00 -2.10 0.00 0.00 70.33 68.56 1pkd n THR 41 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1pkd n GLU 42 N 0.00 1.59 0.00 -0.78 -0.58 -1.26 -5.09 120.64 114.53 1pkd n GLU 42 Ca 0.00 -0.09 0.00 0.00 -0.42 0.00 0.00 57.16 56.65 1pkd n GLU 42 Cb 0.00 -1.28 0.00 0.00 -0.57 0.00 0.00 31.44 29.59 1pkd n GLU 42 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1pkd n GLY 43 N 1.37 0.35 3.69 0.62 0.00 -1.26 -4.76 105.19 105.19 1pkd n GLY 43 Ca 0.04 -0.94 -0.42 0.00 0.00 0.00 0.00 46.02 44.69 1pkd n GLY 43 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pkd s VAL 44 N 0.00 4.46 0.32 1.61 1.01 -1.26 -3.65 120.40 122.89 1pkd s VAL 44 Ca 0.00 1.76 -0.29 0.00 0.00 0.00 0.00 61.98 63.45 1pkd s VAL 44 Cb 0.00 -4.13 -0.10 0.00 0.00 0.00 0.00 36.38 32.15 1pkd s VAL 44 CO 0.00 0.04 1.29 -2.16 0.00 0.00 0.00 175.10 174.27 1pkd s PRO 45 N 1.84 4.38 0.52 2.72 0.04 -1.26 -4.87 135.00 138.36 1pkd s PRO 45 Ca 0.54 2.18 0.19 0.00 0.04 0.00 0.00 61.00 63.95 1pkd s PRO 45 Cb -0.23 -3.09 1.29 0.00 0.04 0.00 0.00 34.50 32.52 1pkd s PRO 45 CO 0.23 -0.17 2.08 0.66 0.04 0.00 0.00 177.00 179.84 1pkd h SER 46 N 3.53 0.04 -0.85 6.66 4.64 -1.94 0.11 113.55 125.74 1pkd h SER 46 Ca -0.49 0.00 0.04 0.00 -0.47 0.00 0.00 61.79 60.87 1pkd h SER 46 Cb 1.22 -0.01 -0.05 0.00 -0.31 0.00 0.00 62.40 63.26 1pkd h SER 46 CO 0.66 0.02 0.56 0.74 -0.87 0.00 0.00 176.83 177.95 1pkd h THR 47 N 0.04 1.13 -0.03 2.95 2.02 -1.90 -1.62 112.91 115.51 1pkd h THR 47 Ca 0.12 -0.36 -0.20 0.00 0.77 0.00 0.00 66.41 66.74 1pkd h THR 47 Cb 0.42 -0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 66.82 1pkd h THR 47 CO -0.01 0.19 -0.84 0.00 0.37 0.00 0.00 175.52 175.23 1pkd h ALA 48 N 1.51 0.51 -0.12 6.16 0.00 -1.14 -2.08 119.26 124.10 1pkd h ALA 48 Ca 0.34 -0.67 -0.14 0.00 0.00 0.00 0.00 54.91 54.44 1pkd h ALA 48 Cb 0.04 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1pkd h ALA 48 CO -0.10 0.82 -0.53 0.82 0.00 0.00 0.00 179.25 180.26 1pkd h ILE 49 N 0.21 1.35 -0.01 0.00 2.04 -0.96 -2.50 117.51 117.64 1pkd h ILE 49 Ca -0.05 -1.80 -0.11 0.00 1.00 0.00 0.00 64.86 63.91 1pkd h ILE 49 Cb 1.45 1.84 0.01 0.00 -0.74 0.00 0.00 36.82 39.37 1pkd h ILE 49 CO 0.14 0.54 -0.41 0.03 0.00 0.00 0.00 178.15 178.45 1pkd h ARG 50 N 0.26 0.29 0.39 2.37 3.08 -1.33 -2.75 114.38 116.69 1pkd h ARG 50 Ca 0.01 -0.30 -0.01 0.00 0.07 0.00 0.00 59.98 59.75 1pkd h ARG 50 Cb 1.02 0.08 -0.03 0.00 0.08 0.00 0.00 29.97 31.12 1pkd h ARG 50 CO 0.09 1.00 -0.51 1.49 -1.07 0.00 0.00 179.97 180.97 1pkd h GLU 51 N -0.29 -0.89 0.33 0.04 4.81 -1.30 -1.54 114.58 115.74 1pkd h GLU 51 Ca -0.05 0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.24 1pkd h GLU 51 Cb 1.14 0.20 -0.01 0.00 0.63 0.00 0.00 28.75 30.71 1pkd h GLU 51 CO 0.08 -0.59 -0.25 0.82 -0.73 0.00 0.00 179.01 178.33 1pkd h ILE 52 N -0.93 0.47 -0.20 2.32 2.04 -1.61 0.87 117.51 120.47 1pkd h ILE 52 Ca -0.05 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.84 1pkd h ILE 52 Cb 0.83 0.47 -0.01 0.00 -0.74 0.00 0.00 36.82 37.37 1pkd h ILE 52 CO -0.13 0.00 0.14 0.77 0.00 0.00 0.00 178.15 178.93 1pkd h SER 53 N -0.59 0.16 0.34 1.72 4.64 -1.46 -1.45 113.55 116.91 1pkd h SER 53 Ca -0.03 -0.00 -0.32 0.00 -0.47 0.00 0.00 61.79 60.97 1pkd h SER 53 Cb 0.51 -0.04 -0.03 0.00 -0.31 0.00 0.00 62.40 62.54 1pkd h SER 53 CO -0.00 0.11 -1.78 -0.07 -0.87 0.00 0.00 176.83 174.22 1pkd h LEU 54 N 0.18 0.27 -0.96 5.97 3.38 -1.13 -3.35 115.31 119.67 1pkd h LEU 54 Ca 0.08 -0.52 -0.06 0.00 0.09 0.00 0.00 57.88 57.47 1pkd h LEU 54 Cb 0.12 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 1pkd h LEU 54 CO -0.01 1.46 -0.28 0.25 0.09 0.00 0.00 178.44 179.95 1pkd h LEU 55 N 0.05 0.00 -1.47 1.67 5.85 -0.55 -2.86 115.31 118.00 1pkd h LEU 55 Ca -0.33 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.38 1pkd h LEU 55 Cb 2.02 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 43.03 1pkd h LEU 55 CO 0.10 0.28 0.22 0.11 -0.34 0.00 0.00 178.44 178.82 1pkd h LYS 56 N 0.00 0.58 -0.01 1.25 1.57 -1.40 -2.67 116.57 115.89 1pkd h LYS 56 Ca -0.00 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1pkd h LYS 56 Cb 0.84 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.03 1pkd h LYS 56 CO 0.04 0.44 -0.11 0.39 -0.57 0.00 0.00 179.45 179.63 1pkd n GLU 57 N -4.42 1.39 -3.22 3.15 1.02 -1.08 -4.65 120.64 112.83 1pkd n GLU 57 Ca 0.03 -0.86 -0.36 0.00 -0.02 0.00 0.00 57.16 55.96 1pkd n GLU 57 Cb 0.10 -1.48 -0.03 0.00 -0.02 0.00 0.00 31.44 30.01 1pkd n GLU 57 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1pkd n LEU 58 N -0.06 5.18 -4.44 -4.62 4.77 -1.01 -4.98 117.00 111.85 1pkd n LEU 58 Ca 0.16 -5.31 -0.43 0.00 -0.03 0.00 0.00 56.01 50.40 1pkd n LEU 58 Cb 0.37 -1.01 -0.04 0.00 -2.33 0.00 0.00 43.42 40.41 1pkd n LEU 58 CO 0.20 1.83 0.73 0.21 -1.33 0.00 0.00 177.39 179.04 1pkd s ASN 59 N -1.94 6.22 -0.16 -1.43 3.04 -1.26 -4.89 114.94 114.52 1pkd s ASN 59 Ca 0.34 -1.16 -0.19 0.00 0.04 0.00 0.00 52.86 51.90 1pkd s ASN 59 Cb 0.08 -2.40 0.05 0.00 -1.54 0.00 0.00 41.25 37.44 1pkd s ASN 59 CO 0.04 -1.36 0.51 -2.28 -3.04 0.00 0.00 177.10 170.97 1pkd s HIS 60 N 3.73 -0.53 0.58 0.43 2.46 -1.26 -5.05 115.29 115.65 1pkd s HIS 60 Ca 0.22 1.24 0.29 0.00 0.47 0.00 0.00 55.06 57.27 1pkd s HIS 60 Cb -0.17 0.20 1.48 0.00 -0.13 0.00 0.00 32.58 33.96 1pkd s HIS 60 CO 0.08 -0.31 1.90 -1.35 -2.47 0.00 0.00 174.74 172.59 1pkd h PRO 61 N 4.97 0.00 -0.39 2.88 0.11 -2.00 -2.61 132.00 134.97 1pkd h PRO 61 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 1pkd h PRO 61 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1pkd h PRO 61 CO 0.22 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 178.10 1pkd n ASN 62 N -3.77 3.84 -4.25 -2.05 5.03 -1.26 -4.88 115.26 107.92 1pkd n ASN 62 Ca 0.09 -2.55 -0.32 0.00 0.87 0.00 0.00 54.58 52.67 1pkd n ASN 62 Cb 0.68 -0.45 -0.17 0.00 -1.02 0.00 0.00 39.78 38.82 1pkd n ASN 62 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1pkd s ILE 63 N -2.01 2.15 0.15 2.41 1.01 -0.98 -0.82 121.20 123.11 1pkd s ILE 63 Ca 0.38 -1.00 -0.32 0.00 0.00 0.00 0.00 60.65 59.71 1pkd s ILE 63 Cb 0.27 -1.81 -0.11 0.00 0.01 0.00 0.00 42.46 40.81 1pkd s ILE 63 CO 0.15 0.56 1.80 0.52 0.00 0.00 0.00 174.94 177.97 1pkd n VAL 64 N 3.31 0.24 -2.83 2.92 0.31 -0.46 -4.68 118.33 117.15 1pkd n VAL 64 Ca -0.18 -0.04 -0.41 0.00 -0.01 0.00 0.00 64.34 63.69 1pkd n VAL 64 Cb 0.53 -2.06 -0.04 0.00 -0.91 0.00 0.00 33.84 31.36 1pkd n VAL 64 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 1pkd s LYS 65 N 2.21 4.54 -0.33 5.55 2.20 -1.26 -4.93 119.74 127.73 1pkd s LYS 65 Ca 0.80 1.25 -0.24 0.00 -0.36 0.00 0.00 55.97 57.42 1pkd s LYS 65 Cb -0.50 -3.43 0.01 0.00 -1.51 0.00 0.00 37.83 32.40 1pkd s LYS 65 CO 0.36 0.06 0.85 -1.17 -0.36 0.00 0.00 175.35 175.09 1pkd s LEU 66 N 0.66 4.06 -0.07 5.43 2.96 -1.26 -1.61 118.68 128.85 1pkd s LEU 66 Ca 0.46 0.65 -0.01 0.00 -0.22 0.00 0.00 54.13 55.00 1pkd s LEU 66 Cb -0.21 -3.16 -0.26 0.00 0.50 0.00 0.00 46.19 43.07 1pkd s LEU 66 CO 0.25 -0.71 0.56 -0.07 -1.32 0.00 0.00 176.35 175.07 1pkd h LEU 67 N 9.68 0.32 -7.00 -0.68 3.38 -0.66 -3.49 115.31 116.87 1pkd h LEU 67 Ca -0.24 -0.63 -0.02 0.00 0.09 0.00 0.00 57.88 57.08 1pkd h LEU 67 Cb 1.09 -0.10 -0.14 0.00 0.09 0.00 0.00 40.66 41.60 1pkd h LEU 67 CO 0.92 1.56 0.23 -0.62 0.09 0.00 0.00 178.44 180.62 1pkd s ASP 68 N -6.81 -0.57 -0.14 -0.43 -1.08 -1.16 -4.98 116.67 101.49 1pkd s ASP 68 Ca -0.15 0.14 0.01 0.00 -0.52 0.00 0.00 52.55 52.03 1pkd s ASP 68 Cb 0.07 0.57 0.02 0.00 -1.46 0.00 0.00 42.92 42.12 1pkd s ASP 68 CO 0.81 -0.87 -0.15 -0.69 0.52 0.00 0.00 175.17 174.79 1pkd s VAL 69 N -3.18 1.58 -0.18 1.11 1.01 -1.26 -1.20 120.40 118.29 1pkd s VAL 69 Ca -0.01 -0.65 -0.03 0.00 0.00 0.00 0.00 61.98 61.28 1pkd s VAL 69 Cb -0.01 -1.47 -0.02 0.00 0.00 0.00 0.00 36.38 34.88 1pkd s VAL 69 CO -0.08 0.46 -0.05 -0.63 0.00 0.00 0.00 175.10 174.80 1pkd s ILE 70 N 1.35 3.59 0.00 2.22 1.01 -0.24 -4.97 121.20 124.16 1pkd s ILE 70 Ca 0.02 -0.45 0.00 0.00 0.00 0.00 0.00 60.65 60.22 1pkd s ILE 70 Cb -0.13 -2.59 0.00 0.00 0.01 0.00 0.00 42.46 39.75 1pkd s ILE 70 CO -0.09 0.46 0.00 1.41 0.00 0.00 0.00 174.94 176.73 1pkd n HIS 71 N 4.08 0.00 -1.22 3.97 8.25 -1.26 -1.59 115.22 127.45 1pkd n HIS 71 Ca -0.18 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.28 1pkd n HIS 71 Cb 0.52 -0.07 0.00 0.00 1.12 0.00 0.00 29.99 31.56 1pkd n HIS 71 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 1pkd n THR 72 N -0.78 -3.23 0.36 1.59 -1.04 -1.26 -3.94 114.28 105.98 1pkd n THR 72 Ca 0.00 1.47 0.12 0.00 -2.04 0.00 0.00 64.05 63.61 1pkd n THR 72 Cb 0.00 -2.20 0.24 0.00 -1.82 0.00 0.00 70.33 66.55 1pkd n THR 72 CO 0.00 0.00 0.00 1.05 -0.64 0.00 0.00 175.07 175.48 1pkd h GLU 73 N 0.67 0.00 0.00 -2.82 4.11 -2.03 -3.34 114.58 111.16 1pkd h GLU 73 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1pkd h GLU 73 Cb 0.40 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.65 1pkd h GLU 73 CO 0.00 0.00 -1.41 0.09 0.07 0.00 0.00 179.01 177.76 1pkd n ASN 74 N -2.78 1.93 -4.10 3.06 3.02 -1.26 -4.87 115.26 110.25 1pkd n ASN 74 Ca 0.04 -0.12 -0.10 0.00 -0.03 0.00 0.00 54.58 54.37 1pkd n ASN 74 Cb 0.50 1.48 -0.10 0.00 -0.61 0.00 0.00 39.78 41.04 1pkd n ASN 74 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1pkd s LYS 75 N -2.74 0.65 -0.08 3.52 3.01 -1.26 -0.33 119.74 122.50 1pkd s LYS 75 Ca -0.03 -1.09 0.03 0.00 -1.01 0.00 0.00 55.97 53.87 1pkd s LYS 75 Cb 0.08 -0.08 -0.02 0.00 -1.01 0.00 0.00 37.83 36.81 1pkd s LYS 75 CO 0.51 -0.03 -0.18 -1.17 0.51 0.00 0.00 175.35 174.99 1pkd s LEU 76 N -2.51 2.49 -0.18 3.17 2.96 -0.16 -4.05 118.68 120.40 1pkd s LEU 76 Ca 0.03 -0.36 -0.02 0.00 -0.22 0.00 0.00 54.13 53.56 1pkd s LEU 76 Cb 0.01 -1.51 -0.00 0.00 0.50 0.00 0.00 46.19 45.18 1pkd s LEU 76 CO -0.05 0.24 -0.10 -0.31 -1.32 0.00 0.00 176.35 174.81 1pkd s TYR 77 N -0.11 2.87 -0.22 5.38 2.02 -0.62 -0.05 117.35 126.62 1pkd s TYR 77 Ca -0.03 -0.99 -0.09 0.00 -0.37 0.00 0.00 57.07 55.59 1pkd s TYR 77 Cb -0.14 -1.98 -0.05 0.00 -0.40 0.00 0.00 41.96 39.39 1pkd s TYR 77 CO 0.04 -0.49 0.13 -0.51 -1.57 0.00 0.00 175.55 173.14 1pkd s LEU 78 N 1.07 4.01 -0.22 -1.29 1.43 0.07 -1.08 118.68 122.68 1pkd s LEU 78 Ca 0.00 0.10 -0.13 0.00 -1.03 0.00 0.00 54.13 53.07 1pkd s LEU 78 Cb -0.15 -2.06 -0.04 0.00 0.03 0.00 0.00 46.19 43.97 1pkd s LEU 78 CO -0.02 0.10 0.29 -0.69 0.23 0.00 0.00 176.35 176.25 1pkd s VAL 79 N 0.83 5.27 0.16 -1.59 1.01 -0.34 -0.31 120.40 125.43 1pkd s VAL 79 Ca 0.06 0.46 0.11 0.00 0.00 0.00 0.00 61.98 62.61 1pkd s VAL 79 Cb -0.13 -3.62 -0.04 0.00 0.00 0.00 0.00 36.38 32.59 1pkd s VAL 79 CO 0.02 0.30 -0.25 -0.36 0.00 0.00 0.00 175.10 174.81 1pkd s PHE 80 N 1.19 2.23 0.40 5.22 0.40 0.88 0.13 117.98 128.42 1pkd s PHE 80 Ca 0.14 -0.38 -0.27 0.00 -0.60 0.00 0.00 56.93 55.82 1pkd s PHE 80 Cb -0.14 -1.16 -0.10 0.00 0.51 0.00 0.00 43.02 42.13 1pkd s PHE 80 CO 0.06 0.40 1.37 -0.85 0.70 0.00 0.00 175.22 176.90 1pkd n GLU 81 N 0.61 2.26 -3.40 0.44 0.28 -0.64 -1.23 120.64 118.96 1pkd n GLU 81 Ca -0.15 0.80 -0.38 0.00 -0.16 0.00 0.00 57.16 57.26 1pkd n GLU 81 Cb 0.55 -2.51 -0.07 0.00 1.43 0.00 0.00 31.44 30.83 1pkd n GLU 81 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 177.13 177.09 1pkd s PHE 82 N -1.15 3.39 0.42 -1.84 5.36 -1.26 -4.45 117.98 118.46 1pkd s PHE 82 Ca 0.58 0.63 0.07 0.00 -0.96 0.00 0.00 56.93 57.25 1pkd s PHE 82 Cb -0.50 -2.50 -0.04 0.00 -0.34 0.00 0.00 43.02 39.64 1pkd s PHE 82 CO 0.60 0.03 0.22 -0.51 -1.46 0.00 0.00 175.22 174.11 1pkd s LEU 83 N 1.15 3.12 -0.11 6.12 1.02 -1.26 -5.00 118.68 123.72 1pkd s LEU 83 Ca 0.19 -1.05 0.05 0.00 0.02 0.00 0.00 54.13 53.34 1pkd s LEU 83 Cb -0.15 -1.50 -0.24 0.00 0.02 0.00 0.00 46.19 44.32 1pkd s LEU 83 CO 0.08 -0.60 0.41 1.41 0.02 0.00 0.00 176.35 177.66 1pkd n HIS 84 N -1.32 0.90 -3.61 0.29 8.25 0.71 -4.96 115.22 115.49 1pkd n HIS 84 Ca -0.01 0.26 -0.08 0.00 -0.26 0.00 0.00 57.72 57.63 1pkd n HIS 84 Cb 0.64 -1.14 -0.02 0.00 1.12 0.00 0.00 29.99 30.59 1pkd n HIS 84 CO 0.00 0.00 0.00 1.14 0.64 0.00 0.00 176.34 178.12 1pkd s GLN 85 N -2.56 1.21 0.75 -0.41 -2.07 -1.02 -5.01 119.66 110.55 1pkd s GLN 85 Ca -0.15 -0.56 -0.11 0.00 -1.82 0.00 0.00 55.36 52.72 1pkd s GLN 85 Cb 0.07 0.49 0.04 0.00 -1.09 0.00 0.00 33.01 32.52 1pkd s GLN 85 CO 0.78 -0.54 1.09 0.16 -1.32 0.00 0.00 175.29 175.46 1pkd s ASP 86 N -2.75 4.92 0.21 12.60 1.47 -1.26 -0.45 116.67 131.41 1pkd s ASP 86 Ca 0.07 1.31 -0.02 0.00 1.18 0.00 0.00 52.55 55.09 1pkd s ASP 86 Cb -0.02 -2.09 0.17 0.00 -0.34 0.00 0.00 42.92 40.64 1pkd s ASP 86 CO -0.04 -1.70 1.56 0.25 0.68 0.00 0.00 175.17 175.92 1pkd h LEU 87 N -0.90 0.60 -0.29 2.11 5.85 0.47 -2.95 115.31 120.21 1pkd h LEU 87 Ca -0.46 -0.29 0.06 0.00 0.84 0.00 0.00 57.88 58.03 1pkd h LEU 87 Cb 1.25 -0.17 -0.06 0.00 0.37 0.00 0.00 40.66 42.05 1pkd h LEU 87 CO 0.60 0.98 -0.12 0.50 -0.34 0.00 0.00 178.44 180.06 1pkd h LYS 88 N 0.45 -0.06 0.00 1.25 3.11 -1.71 0.22 116.57 119.83 1pkd h LYS 88 Ca 0.03 0.00 -0.02 0.00 -2.81 0.00 0.00 60.65 57.85 1pkd h LYS 88 Cb 0.98 0.01 -0.00 0.00 -1.00 0.00 0.00 32.23 32.22 1pkd h LYS 88 CO 0.09 -0.04 -0.08 -0.22 -2.81 0.00 0.00 179.45 176.39 1pkd h LYS 89 N -0.06 0.00 0.19 1.90 3.64 -1.85 -1.69 116.57 118.69 1pkd h LYS 89 Ca 0.15 0.00 -0.30 0.00 -1.27 0.00 0.00 60.65 59.22 1pkd h LYS 89 Cb 0.29 0.00 0.02 0.00 -0.41 0.00 0.00 32.23 32.13 1pkd h LYS 89 CO -0.33 0.08 -1.35 0.35 -2.27 0.00 0.00 179.45 175.93 1pkd h PHE 90 N 0.00 0.76 0.19 1.91 3.57 -1.12 -2.64 116.94 119.61 1pkd h PHE 90 Ca -0.00 -0.55 -0.01 0.00 3.53 0.00 0.00 57.97 60.94 1pkd h PHE 90 Cb 0.15 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 38.86 1pkd h PHE 90 CO 0.00 1.42 -0.09 0.52 -2.23 0.00 0.00 178.31 177.93 1pkd h MET 91 N 0.13 -0.24 -0.84 1.11 2.86 -0.15 -1.88 114.93 115.91 1pkd h MET 91 Ca -0.19 0.02 0.11 0.00 -2.06 0.00 0.00 59.70 57.57 1pkd h MET 91 Cb 2.05 0.06 -0.08 0.00 0.06 0.00 0.00 31.60 33.69 1pkd h MET 91 CO 0.24 -0.09 0.47 -0.44 1.06 0.00 0.00 176.91 178.16 1pkd h ASP 92 N -0.35 0.65 0.79 1.22 3.32 -1.41 0.26 116.42 120.90 1pkd h ASP 92 Ca -0.03 0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.08 1pkd h ASP 92 Cb 0.27 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.76 1pkd h ASP 92 CO 0.04 0.35 0.00 0.00 -1.72 0.00 0.00 179.24 177.91 1pkd h ALA 93 N 1.49 1.00 -0.33 3.45 0.00 -1.35 -1.90 119.26 121.63 1pkd h ALA 93 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.33 1pkd h ALA 93 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1pkd h ALA 93 CO -0.28 0.00 0.00 0.43 0.00 0.00 0.00 179.25 179.40 1pkd n SER 94 N -2.83 3.11 -0.31 0.00 7.64 0.67 -4.70 113.62 117.19 1pkd n SER 94 Ca 0.00 -1.90 0.09 0.00 1.01 0.00 0.00 58.87 58.07 1pkd n SER 94 Cb 0.25 -0.21 0.20 0.00 -1.01 0.00 0.00 64.21 63.43 1pkd n SER 94 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1pkd h ALA 95 N 3.54 0.88 0.08 -0.43 0.00 -0.04 -0.14 119.26 123.16 1pkd h ALA 95 Ca 0.00 0.31 -0.15 0.00 0.00 0.00 0.00 54.91 55.07 1pkd h ALA 95 Cb 0.84 0.56 0.00 0.00 0.00 0.00 0.00 17.79 19.20 1pkd h ALA 95 CO 0.00 -0.47 -0.72 -0.07 0.00 0.00 0.00 179.25 177.99 1pkd h LEU 96 N 0.04 0.26 -0.41 0.00 3.38 -1.84 -3.40 115.31 113.34 1pkd h LEU 96 Ca 0.49 -0.90 -0.01 0.00 0.09 0.00 0.00 57.88 57.55 1pkd h LEU 96 Cb 0.90 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.55 1pkd h LEU 96 CO -0.84 1.33 0.23 0.00 0.09 0.00 0.00 178.44 179.24 1pkd h THR 97 N -0.62 1.15 0.00 0.22 1.03 -1.52 -3.48 112.91 109.69 1pkd h THR 97 Ca -0.15 -0.38 0.00 0.00 -0.01 0.00 0.00 66.41 65.87 1pkd h THR 97 Cb 1.43 0.66 0.00 0.00 -1.07 0.00 0.00 68.15 69.18 1pkd h THR 97 CO 0.05 0.16 0.00 0.61 -0.01 0.00 0.00 175.52 176.33 1pkd n GLY 98 N -1.00 1.48 1.99 2.99 0.00 -0.19 -4.91 105.19 105.55 1pkd n GLY 98 Ca 0.00 -0.40 -0.02 0.00 0.00 0.00 0.00 46.02 45.60 1pkd n GLY 98 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1pkd n ILE 99 N 0.00 -9.00 -1.58 -0.61 5.41 -1.26 -4.87 119.36 107.44 1pkd n ILE 99 Ca 0.00 1.82 -0.42 0.00 1.00 0.00 0.00 62.75 65.14 1pkd n ILE 99 Cb 0.00 -5.12 0.00 0.00 -0.71 0.00 0.00 39.64 33.81 1pkd n ILE 99 CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 176.55 175.74 1pkd n PRO 100 N 1.07 1.21 0.02 0.38 -0.04 -1.26 -4.86 135.00 131.52 1pkd n PRO 100 Ca -0.13 0.43 -0.01 0.00 -0.04 0.00 0.00 63.50 63.75 1pkd n PRO 100 Cb 0.20 -1.91 0.26 0.00 -0.04 0.00 0.00 33.50 32.01 1pkd n PRO 100 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 1pkd h LEU 101 N 1.51 0.46 -0.71 1.53 7.12 -2.00 -2.86 115.31 120.36 1pkd h LEU 101 Ca -0.43 -0.12 0.05 0.00 0.13 0.00 0.00 57.88 57.52 1pkd h LEU 101 Cb 1.35 -0.12 -0.05 0.00 -0.53 0.00 0.00 40.66 41.30 1pkd h LEU 101 CO 0.57 0.62 0.42 -0.65 -0.13 0.00 0.00 178.44 179.27 1pkd h PRO 102 N 0.44 0.76 -0.50 5.25 0.11 -1.99 -1.26 132.00 134.82 1pkd h PRO 102 Ca 0.08 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 66.12 1pkd h PRO 102 Cb 0.49 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 31.40 1pkd h PRO 102 CO 0.03 0.51 0.22 1.25 -0.21 0.00 0.00 178.00 179.80 1pkd h LEU 103 N 0.79 0.67 -0.78 2.35 5.85 -1.88 0.86 115.31 123.17 1pkd h LEU 103 Ca 0.31 -0.15 0.02 0.00 0.84 0.00 0.00 57.88 58.89 1pkd h LEU 103 Cb 0.13 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 40.95 1pkd h LEU 103 CO -0.16 0.63 0.51 0.40 -0.34 0.00 0.00 178.44 179.48 1pkd h ILE 104 N 0.67 1.17 -0.15 4.05 2.04 -1.42 0.82 117.51 124.69 1pkd h ILE 104 Ca 0.17 -0.35 0.00 0.00 1.00 0.00 0.00 64.86 65.68 1pkd h ILE 104 Cb 0.15 0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 36.28 1pkd h ILE 104 CO -0.02 0.19 0.09 0.50 0.00 0.00 0.00 178.15 178.91 1pkd h LYS 105 N 1.02 0.18 -0.38 2.37 3.64 -0.72 0.13 116.57 122.82 1pkd h LYS 105 Ca 0.29 -0.01 0.07 0.00 -1.27 0.00 0.00 60.65 59.73 1pkd h LYS 105 Cb -0.08 -0.04 -0.06 0.00 -0.41 0.00 0.00 32.23 31.64 1pkd h LYS 105 CO -0.08 0.12 0.01 1.03 -2.27 0.00 0.00 179.45 178.26 1pkd h SER 106 N 0.19 -0.13 -0.32 4.20 0.87 -0.46 -1.22 113.55 116.68 1pkd h SER 106 Ca 0.05 0.08 -0.04 0.00 -1.23 0.00 0.00 61.79 60.66 1pkd h SER 106 Cb -0.02 0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 62.08 1pkd h SER 106 CO -0.02 -0.03 0.04 1.88 -0.53 0.00 0.00 176.83 178.17 1pkd h TYR 107 N 0.12 0.57 -0.55 2.24 0.05 -0.45 -1.72 116.97 117.22 1pkd h TYR 107 Ca 0.18 -0.09 -0.01 0.00 0.05 0.00 0.00 58.73 58.87 1pkd h TYR 107 Cb 0.25 -0.15 -0.03 0.00 1.01 0.00 0.00 36.73 37.81 1pkd h TYR 107 CO -0.25 0.63 0.31 1.25 -1.05 0.00 0.00 178.16 179.05 1pkd h LEU 108 N 0.35 0.68 -0.10 3.88 5.85 -0.61 -0.90 115.31 124.46 1pkd h LEU 108 Ca 0.09 -0.08 0.04 0.00 0.84 0.00 0.00 57.88 58.77 1pkd h LEU 108 Cb 0.38 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.20 1pkd h LEU 108 CO 0.01 0.56 -0.13 0.15 -0.34 0.00 0.00 178.44 178.69 1pkd h PHE 109 N 0.74 -0.32 -0.37 1.25 3.57 -1.04 -1.69 116.94 119.08 1pkd h PHE 109 Ca 0.19 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.70 1pkd h PHE 109 Cb 0.03 0.16 -0.02 0.00 2.79 0.00 0.00 35.95 38.91 1pkd h PHE 109 CO -0.02 -0.19 0.17 1.96 -2.23 0.00 0.00 178.31 178.00 1pkd h GLN 110 N -0.17 0.54 -0.98 1.11 4.20 -1.14 -1.51 115.11 117.16 1pkd h GLN 110 Ca 0.08 -0.08 0.04 0.00 0.06 0.00 0.00 58.65 58.75 1pkd h GLN 110 Cb 0.28 -0.09 -0.06 0.00 0.30 0.00 0.00 27.48 27.91 1pkd h GLN 110 CO -0.20 0.49 0.64 -0.07 -0.67 0.00 0.00 178.83 179.02 1pkd h LEU 111 N 0.45 1.06 -0.75 1.46 3.38 -0.93 0.07 115.31 120.05 1pkd h LEU 111 Ca 0.13 -0.01 -0.09 0.00 0.09 0.00 0.00 57.88 58.00 1pkd h LEU 111 Cb 0.14 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 1pkd h LEU 111 CO -0.01 0.71 -0.03 -0.07 0.09 0.00 0.00 178.44 179.13 1pkd h LEU 112 N 1.22 0.90 -0.28 1.67 3.38 -1.06 -0.92 115.31 120.23 1pkd h LEU 112 Ca 0.39 -0.25 -0.03 0.00 0.09 0.00 0.00 57.88 58.09 1pkd h LEU 112 Cb 0.04 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 1pkd h LEU 112 CO -0.13 0.97 0.06 1.56 0.09 0.00 0.00 178.44 181.00 1pkd h GLN 113 N 0.85 0.45 -0.61 1.13 4.20 -0.12 0.39 115.11 121.40 1pkd h GLN 113 Ca 0.15 -0.11 0.06 0.00 0.06 0.00 0.00 58.65 58.81 1pkd h GLN 113 Cb 0.54 -0.06 -0.05 0.00 0.30 0.00 0.00 27.48 28.21 1pkd h GLN 113 CO 0.03 0.55 0.32 0.78 -0.67 0.00 0.00 178.83 179.83 1pkd h GLY 114 N 0.28 0.87 1.10 3.46 0.00 -0.95 -2.20 103.07 105.63 1pkd h GLY 114 Ca 0.09 -0.21 -0.22 0.00 0.00 0.00 0.00 47.33 46.99 1pkd h GLY 114 CO 0.00 0.12 -0.79 -2.00 0.00 0.00 0.00 176.54 173.88 1pkd h LEU 115 N 0.59 0.85 -0.68 3.11 5.85 -0.87 -1.12 115.31 123.03 1pkd h LEU 115 Ca 0.27 -0.67 0.14 0.00 0.84 0.00 0.00 57.88 58.46 1pkd h LEU 115 Cb 0.19 -0.25 -0.10 0.00 0.37 0.00 0.00 40.66 40.86 1pkd h LEU 115 CO -0.19 1.39 0.15 0.00 -0.34 0.00 0.00 178.44 179.46 1pkd h ALA 116 N 0.47 0.85 -0.50 1.25 0.00 -0.17 0.68 119.26 121.84 1pkd h ALA 116 Ca -0.07 0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1pkd h ALA 116 Cb 1.44 0.21 -0.02 0.00 0.00 0.00 0.00 17.79 19.42 1pkd h ALA 116 CO 0.16 -0.32 0.22 0.35 0.00 0.00 0.00 179.25 179.65 1pkd h PHE 117 N 0.27 0.75 0.14 0.00 3.57 -1.12 -0.06 116.94 120.49 1pkd h PHE 117 Ca 0.37 -0.05 -0.00 0.00 3.53 0.00 0.00 57.97 61.82 1pkd h PHE 117 Cb 0.61 -0.23 -0.00 0.00 2.79 0.00 0.00 35.95 39.12 1pkd h PHE 117 CO -0.26 0.61 -0.10 0.00 -2.23 0.00 0.00 178.31 176.33 1pkd h HIS 119 N -0.24 1.12 0.00 0.00 3.86 -0.74 -0.41 115.15 118.74 1pkd h HIS 119 Ca -0.01 -0.12 0.00 0.00 -1.16 0.00 0.00 60.37 59.09 1pkd h HIS 119 Cb 0.21 -0.32 0.00 0.00 1.06 0.00 0.00 27.41 28.35 1pkd h HIS 119 CO -0.09 0.90 0.00 -1.13 0.86 0.00 0.00 177.93 178.46 1pkd n SER 120 N -4.30 0.00 -0.65 2.45 3.41 -0.05 -1.91 113.62 112.57 1pkd n SER 120 Ca 0.05 0.02 0.05 0.00 -0.26 0.00 0.00 58.87 58.73 1pkd n SER 120 Cb 0.23 -0.27 0.20 0.00 -0.26 0.00 0.00 64.21 64.10 1pkd n SER 120 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1pkd n HIS 121 N -1.27 0.43 -3.30 7.33 8.25 -0.26 -4.99 115.22 121.41 1pkd n HIS 121 Ca 0.08 -1.30 -0.23 0.00 -0.26 0.00 0.00 57.72 56.01 1pkd n HIS 121 Cb 0.12 -0.30 0.01 0.00 1.12 0.00 0.00 29.99 30.95 1pkd n HIS 121 CO 0.00 0.00 0.00 2.89 0.64 0.00 0.00 176.34 179.87 1pkd n ARG 122 N -1.12 -4.01 -4.54 -0.41 -4.01 -0.80 -4.97 116.66 96.80 1pkd n ARG 122 Ca 0.22 0.61 -0.33 0.00 -1.04 0.00 0.00 57.85 57.31 1pkd n ARG 122 Cb 0.80 -5.38 -0.14 0.00 -3.04 0.00 0.00 32.46 24.69 1pkd n ARG 122 CO 0.00 0.00 0.00 0.08 -3.04 0.00 0.00 177.63 174.67 1pkd s VAL 123 N -3.03 3.09 -0.15 8.89 1.01 -0.64 -0.03 120.40 129.53 1pkd s VAL 123 Ca 0.39 -0.63 -0.17 0.00 0.00 0.00 0.00 61.98 61.57 1pkd s VAL 123 Cb -0.20 -2.32 -0.04 0.00 0.00 0.00 0.00 36.38 33.82 1pkd s VAL 123 CO 0.48 0.50 0.41 -0.76 0.00 0.00 0.00 175.10 175.74 1pkd s LEU 124 N 0.64 4.24 -0.04 3.92 1.43 0.19 -3.82 118.68 125.24 1pkd s LEU 124 Ca -0.06 0.67 -0.19 0.00 -1.03 0.00 0.00 54.13 53.52 1pkd s LEU 124 Cb -0.15 -2.57 -0.12 0.00 0.03 0.00 0.00 46.19 43.37 1pkd s LEU 124 CO 0.03 0.01 0.78 -0.74 0.23 0.00 0.00 176.35 176.66 1pkd h HIS 125 N 6.86 -0.35 -0.89 0.29 -0.00 -1.90 -1.56 115.15 117.60 1pkd h HIS 125 Ca -0.40 -0.01 -0.27 0.00 -0.00 0.00 0.00 60.37 59.69 1pkd h HIS 125 Cb 1.17 0.12 -0.09 0.00 -0.00 0.00 0.00 27.41 28.61 1pkd h HIS 125 CO 0.63 -0.04 -0.27 0.54 -0.00 0.00 0.00 177.93 178.80 1pkd n ARG 126 N -5.04 -0.95 -2.69 5.26 1.74 -1.26 -2.59 116.66 111.12 1pkd n ARG 126 Ca -0.07 0.90 -0.03 0.00 -0.77 0.00 0.00 57.85 57.88 1pkd n ARG 126 Cb 0.24 -5.00 0.12 0.00 -1.02 0.00 0.00 32.46 26.79 1pkd n ARG 126 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1pkd n ASP 127 N -0.23 -1.20 -4.70 0.55 2.03 -1.26 -2.54 116.55 109.21 1pkd n ASP 127 Ca -0.14 -2.29 -0.42 0.00 0.52 0.00 0.00 54.79 52.46 1pkd n ASP 127 Cb 0.47 0.62 -0.03 0.00 -0.72 0.00 0.00 41.12 41.47 1pkd n ASP 127 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1pkd s LEU 128 N -3.80 4.31 -0.04 -2.67 1.43 -1.26 -4.84 118.68 111.80 1pkd s LEU 128 Ca 0.15 1.73 -0.29 0.00 -1.03 0.00 0.00 54.13 54.68 1pkd s LEU 128 Cb 0.42 -3.56 0.11 0.00 0.03 0.00 0.00 46.19 43.19 1pkd s LEU 128 CO -0.10 -0.44 0.92 -1.59 0.23 0.00 0.00 176.35 175.37 1pkd s LYS 129 N 1.64 0.76 0.60 1.70 -2.85 -1.26 -4.87 119.74 115.46 1pkd s LYS 129 Ca 0.53 -0.22 0.33 0.00 -1.00 0.00 0.00 55.97 55.61 1pkd s LYS 129 Cb -0.23 0.35 1.92 0.00 -2.06 0.00 0.00 37.83 37.82 1pkd s LYS 129 CO 0.24 -0.32 2.27 -1.00 0.10 0.00 0.00 175.35 176.63 1pkd h PRO 130 N 2.09 0.00 0.00 1.78 0.13 -1.94 -1.18 132.00 132.88 1pkd h PRO 130 Ca -0.21 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.88 1pkd h PRO 130 Cb 1.22 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.35 1pkd h PRO 130 CO 0.30 0.01 -0.19 1.96 -0.23 0.00 0.00 178.00 179.86 1pkd h GLN 131 N 0.00 0.00 -0.34 0.86 7.50 -1.95 -1.53 115.11 119.66 1pkd h GLN 131 Ca -0.00 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.15 1pkd h GLN 131 Cb 0.03 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.56 1pkd h GLN 131 CO 0.00 0.19 0.00 0.09 -1.50 0.00 0.00 178.83 177.61 1pkd n ASN 132 N -3.43 3.11 -4.29 1.46 3.02 -0.45 -4.79 115.26 109.90 1pkd n ASN 132 Ca -0.00 -1.95 -0.35 0.00 -0.03 0.00 0.00 54.58 52.25 1pkd n ASN 132 Cb 0.37 -0.21 -0.14 0.00 -0.61 0.00 0.00 39.78 39.19 1pkd n ASN 132 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1pkd s LEU 133 N -1.52 2.86 0.04 3.41 1.43 -1.12 -1.22 118.68 122.57 1pkd s LEU 133 Ca 0.37 -0.43 0.03 0.00 -1.03 0.00 0.00 54.13 53.07 1pkd s LEU 133 Cb 0.22 -1.72 -0.04 0.00 0.03 0.00 0.00 46.19 44.68 1pkd s LEU 133 CO 0.31 -0.02 0.00 -0.76 0.23 0.00 0.00 176.35 176.11 1pkd s LEU 134 N 1.46 3.50 0.14 1.79 1.43 -0.51 -0.14 118.68 126.36 1pkd s LEU 134 Ca 0.06 -0.08 0.05 0.00 -1.03 0.00 0.00 54.13 53.13 1pkd s LEU 134 Cb -0.14 -2.12 -0.04 0.00 0.03 0.00 0.00 46.19 43.92 1pkd s LEU 134 CO -0.04 0.23 -0.12 0.27 0.23 0.00 0.00 176.35 176.91 1pkd s ILE 135 N -1.20 1.31 0.51 -0.59 -4.36 0.40 -0.62 121.20 116.66 1pkd s ILE 135 Ca 0.23 -1.91 0.01 0.00 -0.26 0.00 0.00 60.65 58.71 1pkd s ILE 135 Cb -0.12 -1.71 -0.00 0.00 1.25 0.00 0.00 42.46 41.88 1pkd s ILE 135 CO 0.14 -0.58 0.03 -0.46 0.24 0.00 0.00 174.94 174.32 1pkd n ASN 136 N 0.13 3.08 0.29 4.36 0.23 -1.08 -0.21 115.26 122.06 1pkd n ASN 136 Ca -0.12 -3.31 0.18 0.00 -0.53 0.00 0.00 54.58 50.79 1pkd n ASN 136 Cb 0.59 0.49 0.80 0.00 -2.08 0.00 0.00 39.78 39.58 1pkd n ASN 136 CO 0.00 0.00 0.00 0.71 -0.93 0.00 0.00 177.26 177.04 1pkd h THR 137 N 1.35 0.07 -0.23 5.53 1.35 -1.95 -3.12 112.91 115.91 1pkd h THR 137 Ca -0.42 -0.43 0.00 0.00 -0.55 0.00 0.00 66.41 65.01 1pkd h THR 137 Cb 1.32 1.40 0.00 0.00 -1.73 0.00 0.00 68.15 69.14 1pkd h THR 137 CO 0.69 0.02 0.00 -0.62 -0.25 0.00 0.00 175.52 175.37 1pkd n GLU 138 N -3.14 1.53 -0.76 4.72 1.02 -1.26 -4.47 120.64 118.28 1pkd n GLU 138 Ca -0.00 -0.83 0.00 0.00 -0.02 0.00 0.00 57.16 56.31 1pkd n GLU 138 Cb 0.25 -1.18 0.00 0.00 -0.02 0.00 0.00 31.44 30.49 1pkd n GLU 138 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1pkd n GLY 139 N 0.87 0.60 3.90 0.62 0.00 -1.18 -4.82 105.19 105.18 1pkd n GLY 139 Ca 0.08 -0.14 -0.29 0.00 0.00 0.00 0.00 46.02 45.66 1pkd n GLY 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pkd s ALA 140 N -2.00 3.62 0.00 4.61 0.00 -1.26 -4.83 121.76 121.90 1pkd s ALA 140 Ca 0.00 -0.51 0.02 0.00 0.00 0.00 0.00 51.96 51.48 1pkd s ALA 140 Cb 0.00 -2.32 -0.01 0.00 0.00 0.00 0.00 23.12 20.79 1pkd s ALA 140 CO 0.00 0.31 -0.08 -1.50 0.00 0.00 0.00 175.76 174.49 1pkd s ILE 141 N -2.02 0.62 0.01 0.00 2.07 -1.26 -2.65 121.20 117.97 1pkd s ILE 141 Ca 0.44 -0.44 0.00 0.00 -1.41 0.00 0.00 60.65 59.24 1pkd s ILE 141 Cb -0.11 -0.54 -0.01 0.00 0.13 0.00 0.00 42.46 41.94 1pkd s ILE 141 CO 0.28 0.10 -0.01 -0.54 -1.91 0.00 0.00 174.94 172.86 1pkd s LYS 142 N -0.38 0.12 0.22 3.50 1.02 0.21 -4.67 119.74 119.76 1pkd s LYS 142 Ca 0.01 -0.20 -0.30 0.00 0.02 0.00 0.00 55.97 55.50 1pkd s LYS 142 Cb -0.04 0.00 -0.10 0.00 -0.52 0.00 0.00 37.83 37.18 1pkd s LYS 142 CO -0.00 -0.01 1.46 -0.51 -0.92 0.00 0.00 175.35 175.38 1pkd s LEU 143 N -0.45 4.38 0.28 3.17 1.43 0.00 -1.43 118.68 126.06 1pkd s LEU 143 Ca -0.05 2.64 0.02 0.00 -1.03 0.00 0.00 54.13 55.71 1pkd s LEU 143 Cb -0.03 -3.62 -0.04 0.00 0.03 0.00 0.00 46.19 42.53 1pkd s LEU 143 CO -0.00 -0.73 0.13 0.00 0.23 0.00 0.00 176.35 175.99 1pkd s ALA 144 N 0.28 1.78 -0.36 4.21 0.00 -0.35 -1.35 121.76 125.98 1pkd s ALA 144 Ca 0.62 -1.79 -0.10 0.00 0.00 0.00 0.00 51.96 50.69 1pkd s ALA 144 Cb -0.42 1.15 0.01 0.00 0.00 0.00 0.00 23.12 23.86 1pkd s ALA 144 CO 0.40 -0.50 0.32 -3.47 0.00 0.00 0.00 175.76 172.51 1pkd n ASP 145 N -0.69 -7.74 -1.65 0.00 -0.08 -1.26 -4.80 116.55 100.33 1pkd n ASP 145 Ca 0.01 0.85 -0.04 0.00 -1.51 0.00 0.00 54.79 54.10 1pkd n ASP 145 Cb 0.65 -4.87 0.22 0.00 2.34 0.00 0.00 41.12 39.46 1pkd n ASP 145 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 1pkd n PHE 146 N 0.22 1.77 0.20 -0.67 3.01 -1.26 -4.49 117.46 116.24 1pkd n PHE 146 Ca 0.05 -0.90 0.04 0.00 1.01 0.00 0.00 57.45 57.64 1pkd n PHE 146 Cb 0.29 -0.54 0.42 0.00 -0.01 0.00 0.00 39.48 39.64 1pkd n PHE 146 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 1pkd h GLY 147 N 3.31 0.02 -2.00 1.37 0.00 -1.91 -2.24 103.07 101.63 1pkd h GLY 147 Ca 0.19 -0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.50 1pkd h GLY 147 CO 0.53 0.01 0.00 1.04 0.00 0.00 0.00 176.54 178.12 1pkd n LEU 148 N -4.20 3.09 -4.69 3.11 7.99 -1.26 -4.74 117.00 116.30 1pkd n LEU 148 Ca -0.02 -1.17 -0.30 0.00 -0.01 0.00 0.00 56.01 54.51 1pkd n LEU 148 Cb 0.33 -0.11 0.15 0.00 -0.11 0.00 0.00 43.42 43.68 1pkd n LEU 148 CO 0.38 0.59 0.66 0.00 -1.51 0.00 0.00 177.39 177.50 1pkd s ALA 149 N -1.78 1.38 -0.11 -1.18 0.00 -0.84 -4.64 121.76 114.59 1pkd s ALA 149 Ca 0.33 0.08 -0.30 0.00 0.00 0.00 0.00 51.96 52.07 1pkd s ALA 149 Cb 0.21 -3.25 0.08 0.00 0.00 0.00 0.00 23.12 20.16 1pkd s ALA 149 CO 0.31 -2.52 0.75 -0.98 0.00 0.00 0.00 175.76 173.32 1pkd s ARG 150 N -4.83 0.93 -0.15 0.00 1.04 -0.59 -4.90 118.95 110.46 1pkd s ARG 150 Ca 0.64 0.37 -0.29 0.00 -1.04 0.00 0.00 55.73 55.41 1pkd s ARG 150 Cb -0.19 0.44 -0.01 0.00 -2.04 0.00 0.00 34.95 33.15 1pkd s ARG 150 CO 0.58 -0.26 1.19 0.00 -0.04 0.00 0.00 175.30 176.76 1pkd s ALA 151 N -0.88 3.61 0.16 7.88 0.00 -1.26 -0.64 121.76 130.63 1pkd s ALA 151 Ca -0.07 0.44 -0.05 0.00 0.00 0.00 0.00 51.96 52.28 1pkd s ALA 151 Cb -0.01 -3.57 -0.06 0.00 0.00 0.00 0.00 23.12 19.48 1pkd s ALA 151 CO 0.07 -1.01 0.40 -0.59 0.00 0.00 0.00 175.76 174.63 1pkd s PHE 152 N 3.02 3.47 0.58 0.00 -0.71 0.95 -4.95 117.98 120.33 1pkd s PHE 152 Ca 0.53 0.58 -0.06 0.00 -1.04 0.00 0.00 56.93 56.94 1pkd s PHE 152 Cb -0.21 -2.03 0.00 0.00 -1.21 0.00 0.00 43.02 39.57 1pkd s PHE 152 CO 0.15 0.40 0.89 0.20 -1.34 0.00 0.00 175.22 175.52 1pkd s GLY 153 N -2.50 1.59 0.00 1.99 0.00 -1.26 -4.88 107.32 102.26 1pkd s GLY 153 Ca 0.42 -0.65 0.00 0.00 0.00 0.00 0.00 44.72 44.48 1pkd s GLY 153 CO 0.25 -0.39 0.64 3.33 0.00 0.00 0.00 173.10 176.93 1pkd n VAL 154 N -2.55 0.00 -1.97 1.40 0.24 -1.26 -3.12 118.33 111.07 1pkd n VAL 154 Ca 0.04 1.11 -0.43 0.00 -2.04 0.00 0.00 64.34 63.02 1pkd n VAL 154 Cb 0.57 -2.03 -0.03 0.00 -1.47 0.00 0.00 33.84 30.88 1pkd n VAL 154 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 1pkd s PRO 155 N -1.83 3.31 1.01 7.34 0.04 -1.26 -4.96 135.00 138.65 1pkd s PRO 155 Ca 0.00 1.46 -0.12 0.00 0.04 0.00 0.00 61.00 62.38 1pkd s PRO 155 Cb 0.00 -4.21 0.17 0.00 0.04 0.00 0.00 34.50 30.50 1pkd s PRO 155 CO 0.00 -1.89 0.92 1.33 0.04 0.00 0.00 177.00 177.40 1pkd n VAL 156 N 7.43 0.00 -3.70 -0.36 0.24 -1.18 -5.06 118.33 115.70 1pkd n VAL 156 Ca 0.23 -0.18 0.00 0.00 -2.04 0.00 0.00 64.34 62.36 1pkd n VAL 156 Cb 0.47 -0.91 0.00 0.00 -1.47 0.00 0.00 33.84 31.92 1pkd n VAL 156 CO 0.00 0.00 0.00 -2.11 -2.14 0.00 0.00 176.83 172.58 1pkd n ARG 157 N -3.93 1.85 -2.25 7.34 1.85 -1.26 -4.99 116.66 115.26 1pkd n ARG 157 Ca 0.08 0.00 -0.42 0.00 -1.00 0.00 0.00 57.85 56.51 1pkd n ARG 157 Cb 0.53 0.00 -0.03 0.00 -1.05 0.00 0.00 32.46 31.92 1pkd n ARG 157 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 1pkd s THR 158 N -0.41 3.67 0.00 8.89 2.01 -1.26 -4.65 115.64 123.88 1pkd s THR 158 Ca 0.00 1.13 0.00 0.00 0.31 0.00 0.00 61.69 63.13 1pkd s THR 158 Cb 0.00 -3.72 0.00 0.00 0.01 0.00 0.00 72.50 68.79 1pkd s THR 158 CO 0.00 0.04 0.00 -1.22 -0.69 0.00 0.00 174.62 172.75 1pkd n TYR 159 N 4.71 0.00 0.00 4.92 4.01 -1.26 -5.12 117.16 124.41 1pkd n TYR 159 Ca 0.12 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.86 1pkd n TYR 159 Cb 0.44 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.47 1pkd n TYR 159 CO 0.00 0.00 0.00 1.58 -0.46 0.00 0.00 176.86 177.98 1pkd n HIS 161 N -1.48 0.00 -1.43 -0.72 -0.00 -1.26 -5.08 115.22 105.25 1pkd n HIS 161 Ca 0.00 0.00 -0.38 0.00 0.46 0.00 0.00 57.72 57.80 1pkd n HIS 161 Cb 0.00 0.00 -0.06 0.00 -0.12 0.00 0.00 29.99 29.81 1pkd n HIS 161 CO 0.00 0.00 0.00 0.39 0.46 0.00 0.00 176.34 177.19 1pkd n GLU 162 N -1.17 1.40 -3.86 1.57 4.71 -1.26 -4.84 120.64 117.19 1pkd n GLU 162 Ca 0.00 -2.00 -0.12 0.00 -0.01 0.00 0.00 57.16 55.03 1pkd n GLU 162 Cb 0.16 -3.20 -0.13 0.00 -1.01 0.00 0.00 31.44 27.27 1pkd n GLU 162 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 1pkd s VAL 163 N 7.54 0.02 0.23 2.62 1.01 -1.26 -5.06 120.40 125.51 1pkd s VAL 163 Ca 0.63 -0.17 0.00 0.00 0.00 0.00 0.00 61.98 62.44 1pkd s VAL 163 Cb 0.09 -0.17 0.00 0.00 0.00 0.00 0.00 36.38 36.30 1pkd s VAL 163 CO 0.14 -0.09 0.00 0.52 0.00 0.00 0.00 175.10 175.67 1pkd n VAL 164 N 2.72 -4.78 -1.62 2.92 0.31 -1.05 -4.87 118.33 111.95 1pkd n VAL 164 Ca -0.15 1.78 -0.48 0.00 -0.01 0.00 0.00 64.34 65.48 1pkd n VAL 164 Cb 0.59 -2.81 -0.04 0.00 -0.91 0.00 0.00 33.84 30.66 1pkd n VAL 164 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 1pkd n THR 165 N 0.30 0.39 -0.26 2.52 -1.04 -1.26 -4.77 114.28 110.15 1pkd n THR 165 Ca 0.00 -0.10 0.02 0.00 -2.04 0.00 0.00 64.05 61.93 1pkd n THR 165 Cb 0.00 -1.15 0.10 0.00 -1.82 0.00 0.00 70.33 67.46 1pkd n THR 165 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 1pkd h LEU 166 N 4.58 -0.65 -2.35 -4.42 5.85 -1.98 -0.61 115.31 115.73 1pkd h LEU 166 Ca -0.45 0.22 0.01 0.00 0.84 0.00 0.00 57.88 58.50 1pkd h LEU 166 Cb 1.30 0.45 -0.00 0.00 0.37 0.00 0.00 40.66 42.78 1pkd h LEU 166 CO 0.79 -0.24 0.21 -0.50 -0.34 0.00 0.00 178.44 178.36 1pkd h TRP 167 N 0.01 0.00 -0.08 1.25 4.06 -1.89 -1.71 115.95 117.58 1pkd h TRP 167 Ca 0.37 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.32 1pkd h TRP 167 Cb 0.58 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.74 1pkd h TRP 167 CO -0.57 0.00 0.00 0.66 -3.56 0.00 0.00 178.44 174.97 1pkd n TYR 168 N -3.12 0.14 -2.81 0.49 4.01 -0.24 -4.56 117.16 111.06 1pkd n TYR 168 Ca -0.01 -0.59 -0.41 0.00 -0.16 0.00 0.00 57.90 56.72 1pkd n TYR 168 Cb 0.28 -0.07 -0.04 0.00 -0.31 0.00 0.00 39.34 39.20 1pkd n TYR 168 CO 0.00 0.00 0.00 0.50 -0.46 0.00 0.00 176.86 176.90 1pkd s ARG 169 N -1.36 4.53 0.66 -0.72 3.52 -0.65 -3.75 118.95 121.19 1pkd s ARG 169 Ca 0.11 1.26 -0.17 0.00 -0.13 0.00 0.00 55.73 56.81 1pkd s ARG 169 Cb 0.08 -3.45 -0.00 0.00 -1.56 0.00 0.00 34.95 30.02 1pkd s ARG 169 CO 0.04 0.01 1.21 0.00 -0.81 0.00 0.00 175.30 175.75 1pkd s ALA 170 N 0.86 2.35 0.33 6.12 0.00 -1.26 -4.89 121.76 125.27 1pkd s ALA 170 Ca 0.47 0.95 0.05 0.00 0.00 0.00 0.00 51.96 53.43 1pkd s ALA 170 Cb -0.20 -3.46 0.69 0.00 0.00 0.00 0.00 23.12 20.15 1pkd s ALA 170 CO 0.25 -1.50 1.89 -1.00 0.00 0.00 0.00 175.76 175.40 1pkd h PRO 171 N 0.31 0.81 -0.32 0.00 0.13 -1.96 -2.76 132.00 128.21 1pkd h PRO 171 Ca -0.49 -0.05 0.03 0.00 -0.87 0.00 0.00 66.00 64.62 1pkd h PRO 171 Cb 1.30 -0.18 -0.02 0.00 0.13 0.00 0.00 31.00 32.23 1pkd h PRO 171 CO 0.53 0.54 0.21 1.05 -0.23 0.00 0.00 178.00 180.10 1pkd h GLU 172 N 0.84 0.31 0.17 0.86 9.09 -1.92 0.47 114.58 124.40 1pkd h GLU 172 Ca 0.41 -0.02 -0.31 0.00 0.05 0.00 0.00 59.36 59.49 1pkd h GLU 172 Cb 0.46 -0.07 0.03 0.00 -1.65 0.00 0.00 28.75 27.53 1pkd h GLU 172 CO -0.18 0.20 -1.34 0.82 0.05 0.00 0.00 179.01 178.57 1pkd h ILE 173 N 0.32 1.29 -0.25 -1.06 2.04 -1.84 -1.82 117.51 116.19 1pkd h ILE 173 Ca 0.13 -2.58 -0.07 0.00 1.00 0.00 0.00 64.86 63.33 1pkd h ILE 173 Cb 0.13 2.84 -0.01 0.00 -0.74 0.00 0.00 36.82 39.04 1pkd h ILE 173 CO -0.03 0.78 -0.16 -0.07 0.00 0.00 0.00 178.15 178.67 1pkd h LEU 174 N 0.22 0.42 -0.70 1.44 3.38 -1.07 -1.19 115.31 117.79 1pkd h LEU 174 Ca -0.21 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.64 1pkd h LEU 174 Cb 2.02 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 42.66 1pkd h LEU 174 CO 0.25 0.61 0.00 0.18 0.09 0.00 0.00 178.44 179.57 1pkd n LEU 175 N -4.19 1.03 -2.57 1.67 4.77 0.16 -4.91 117.00 112.95 1pkd n LEU 175 Ca 0.00 -0.50 -0.21 0.00 -0.03 0.00 0.00 56.01 55.27 1pkd n LEU 175 Cb 0.34 -0.12 0.01 0.00 -2.33 0.00 0.00 43.42 41.32 1pkd n LEU 175 CO 0.40 0.25 -0.17 0.61 -1.33 0.00 0.00 177.39 177.15 1pkd n GLY 176 N 0.86 -0.49 3.76 -0.72 0.00 -0.45 -2.50 105.19 105.64 1pkd n GLY 176 Ca 0.09 0.03 -0.38 0.00 0.00 0.00 0.00 46.02 45.76 1pkd n GLY 176 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pkd h LYS 178 N 1.97 0.99 -6.26 0.00 2.10 -1.93 -3.44 116.57 110.00 1pkd h LYS 178 Ca -0.50 -0.37 -0.67 0.00 -2.00 0.00 0.00 60.65 57.11 1pkd h LYS 178 Cb 1.27 -0.06 -0.17 0.00 -0.90 0.00 0.00 32.23 32.36 1pkd h LYS 178 CO 0.60 1.05 -0.70 0.71 -2.00 0.00 0.00 179.45 179.11 1pkd s TYR 179 N -4.82 2.91 0.08 0.07 2.02 -1.26 -4.43 117.35 111.92 1pkd s TYR 179 Ca -0.11 -0.02 -0.07 0.00 -0.37 0.00 0.00 57.07 56.50 1pkd s TYR 179 Cb 0.13 -1.62 -0.01 0.00 -0.40 0.00 0.00 41.96 40.05 1pkd s TYR 179 CO 0.86 0.38 0.14 1.52 -1.57 0.00 0.00 175.55 176.87 1pkd s TYR 180 N -0.99 0.25 0.00 2.71 -0.85 -1.26 -4.99 117.35 112.22 1pkd s TYR 180 Ca 0.17 -0.71 0.00 0.00 -0.52 0.00 0.00 57.07 56.01 1pkd s TYR 180 Cb -0.11 -0.14 0.00 0.00 0.38 0.00 0.00 41.96 42.09 1pkd s TYR 180 CO 0.07 -0.50 0.00 0.45 -1.52 0.00 0.00 175.55 174.05 1pkd n SER 181 N -0.02 0.20 0.22 -0.18 2.88 -1.26 -4.90 113.62 110.56 1pkd n SER 181 Ca -0.15 0.00 0.08 0.00 -1.33 0.00 0.00 58.87 57.47 1pkd n SER 181 Cb 0.62 0.00 0.48 0.00 -0.75 0.00 0.00 64.21 64.56 1pkd n SER 181 CO 0.00 0.00 0.00 0.71 -1.23 0.00 0.00 175.04 174.52 1pkd h THR 182 N 0.00 0.83 -0.35 2.46 1.35 -1.97 -2.67 112.91 112.56 1pkd h THR 182 Ca 0.00 -1.09 0.10 0.00 -0.55 0.00 0.00 66.41 64.87 1pkd h THR 182 Cb 0.00 1.66 -0.01 0.00 -1.73 0.00 0.00 68.15 68.07 1pkd h THR 182 CO 0.00 0.27 0.30 0.00 -0.25 0.00 0.00 175.52 175.84 1pkd h ALA 183 N 1.73 2.17 -0.61 6.62 0.00 -1.93 -1.39 119.26 125.86 1pkd h ALA 183 Ca -0.00 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 1pkd h ALA 183 Cb 0.64 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.43 1pkd h ALA 183 CO 0.04 -0.48 0.20 -0.39 0.00 0.00 0.00 179.25 178.61 1pkd h VAL 184 N 0.00 1.23 -0.59 0.00 -1.51 -1.87 -0.81 116.25 112.69 1pkd h VAL 184 Ca 0.17 -0.77 -0.08 0.00 -1.23 0.00 0.00 66.70 64.79 1pkd h VAL 184 Cb 0.77 0.55 -0.02 0.00 -2.13 0.00 0.00 31.29 30.45 1pkd h VAL 184 CO -0.00 0.30 0.05 0.44 -1.23 0.00 0.00 177.57 177.12 1pkd h ASP 185 N 0.89 0.96 -0.37 4.19 3.32 -1.46 -2.78 116.42 121.17 1pkd h ASP 185 Ca 0.20 -0.24 -0.02 0.00 0.02 0.00 0.00 57.03 56.99 1pkd h ASP 185 Cb 0.24 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.52 1pkd h ASP 185 CO -0.01 0.99 0.14 0.40 -1.72 0.00 0.00 179.24 179.04 1pkd h ILE 186 N 0.92 1.20 0.05 0.35 1.08 -1.22 -2.05 117.51 117.84 1pkd h ILE 186 Ca 0.18 -0.61 0.03 0.00 -0.39 0.00 0.00 64.86 64.06 1pkd h ILE 186 Cb 0.47 0.91 -0.05 0.00 -3.07 0.00 0.00 36.82 35.08 1pkd h ILE 186 CO 0.02 0.22 -0.32 -0.25 -0.69 0.00 0.00 178.15 177.12 1pkd h TRP 187 N 0.45 -0.89 -0.81 1.37 2.91 -1.09 0.17 115.95 118.06 1pkd h TRP 187 Ca 0.12 0.03 0.17 0.00 1.13 0.00 0.00 58.89 60.34 1pkd h TRP 187 Cb 0.20 0.39 -0.11 0.00 -0.51 0.00 0.00 29.16 29.13 1pkd h TRP 187 CO 0.00 -0.42 0.33 0.77 -1.03 0.00 0.00 178.44 178.09 1pkd h SER 188 N -0.51 0.29 -0.68 2.65 0.02 -1.40 0.12 113.55 114.04 1pkd h SER 188 Ca 0.05 0.13 -0.05 0.00 -0.84 0.00 0.00 61.79 61.07 1pkd h SER 188 Cb 0.57 0.11 -0.03 0.00 0.14 0.00 0.00 62.40 63.19 1pkd h SER 188 CO -0.24 0.07 0.22 0.25 -1.14 0.00 0.00 176.83 175.99 1pkd h LEU 189 N 0.43 0.98 -0.38 5.07 6.46 -0.57 -0.90 115.31 126.40 1pkd h LEU 189 Ca 0.47 -0.20 0.06 0.00 -0.12 0.00 0.00 57.88 58.09 1pkd h LEU 189 Cb 0.78 -0.26 -0.05 0.00 -0.73 0.00 0.00 40.66 40.40 1pkd h LEU 189 CO -0.46 0.92 0.05 1.23 -0.62 0.00 0.00 178.44 179.57 1pkd h GLY 190 N 0.98 0.43 0.67 3.75 0.00 0.18 0.20 103.07 109.28 1pkd h GLY 190 Ca 0.22 -0.00 0.06 0.00 0.00 0.00 0.00 47.33 47.60 1pkd h GLY 190 CO -0.01 -0.05 0.30 0.00 0.00 0.00 0.00 176.54 176.78 1pkd h ILE 192 N 0.57 1.27 0.30 0.00 2.04 -0.51 -0.66 117.51 120.51 1pkd h ILE 192 Ca 0.26 -1.33 0.00 0.00 1.00 0.00 0.00 64.86 64.80 1pkd h ILE 192 Cb 0.18 1.07 -0.04 0.00 -0.74 0.00 0.00 36.82 37.30 1pkd h ILE 192 CO -0.18 0.46 -0.51 0.15 0.00 0.00 0.00 178.15 178.07 1pkd h PHE 193 N 0.84 -1.44 -0.84 1.37 3.57 -0.31 0.15 116.94 120.29 1pkd h PHE 193 Ca 0.12 0.03 0.15 0.00 3.53 0.00 0.00 57.97 61.79 1pkd h PHE 193 Cb 0.73 0.59 -0.09 0.00 2.79 0.00 0.00 35.95 39.97 1pkd h PHE 193 CO 0.05 -0.63 0.42 0.00 -2.23 0.00 0.00 178.31 175.92 1pkd h ALA 194 N -0.64 1.25 -0.23 2.41 0.00 -1.15 -0.53 119.26 120.36 1pkd h ALA 194 Ca -0.03 0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 1pkd h ALA 194 Cb 0.81 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 1pkd h ALA 194 CO -0.18 -0.10 -0.19 1.49 0.00 0.00 0.00 179.25 180.27 1pkd h GLU 195 N 0.60 0.40 -0.21 0.00 4.81 -0.70 -2.38 114.58 117.10 1pkd h GLU 195 Ca 0.46 -0.12 -0.07 0.00 -0.13 0.00 0.00 59.36 59.49 1pkd h GLU 195 Cb 0.65 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.98 1pkd h GLU 195 CO -0.37 0.57 -0.17 0.52 -0.73 0.00 0.00 179.01 178.84 1pkd h MET 196 N 0.36 0.36 0.03 1.92 2.86 0.93 0.16 114.93 121.57 1pkd h MET 196 Ca 0.06 -0.11 -0.00 0.00 -2.06 0.00 0.00 59.70 57.60 1pkd h MET 196 Cb 0.54 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.16 1pkd h MET 196 CO 0.04 0.53 -0.02 0.28 1.06 0.00 0.00 176.91 178.80 1pkd h VAL 197 N 0.33 1.34 -0.02 -2.22 2.07 -1.06 -3.35 116.25 113.34 1pkd h VAL 197 Ca 0.06 -1.27 0.00 0.00 0.82 0.00 0.00 66.70 66.31 1pkd h VAL 197 Cb 0.50 2.18 0.00 0.00 -1.52 0.00 0.00 31.29 32.45 1pkd h VAL 197 CO 0.03 0.32 -0.17 0.35 0.02 0.00 0.00 177.57 178.12 1pkd n THR 198 N -4.84 0.00 -1.73 2.57 -2.24 -0.96 -4.95 114.28 102.13 1pkd n THR 198 Ca -0.09 -0.33 -0.11 0.00 -2.27 0.00 0.00 64.05 61.26 1pkd n THR 198 Cb 0.28 1.05 -0.03 0.00 -2.10 0.00 0.00 70.33 69.53 1pkd n THR 198 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1pkd n ARG 199 N 0.43 -1.62 -3.88 -0.78 1.74 0.57 -4.95 116.66 108.18 1pkd n ARG 199 Ca 0.14 0.62 -0.11 0.00 -0.77 0.00 0.00 57.85 57.73 1pkd n ARG 199 Cb 0.47 -4.97 -0.10 0.00 -1.02 0.00 0.00 32.46 26.85 1pkd n ARG 199 CO 0.00 0.00 0.00 -0.98 -1.52 0.00 0.00 177.63 175.13 1pkd s ARG 200 N -3.69 0.48 0.39 5.56 1.70 -1.23 -4.87 118.95 117.29 1pkd s ARG 200 Ca 0.00 -0.42 -0.26 0.00 -0.47 0.00 0.00 55.73 54.58 1pkd s ARG 200 Cb 0.00 0.20 -0.11 0.00 -0.57 0.00 0.00 34.95 34.47 1pkd s ARG 200 CO 0.00 -0.11 1.21 0.00 -1.08 0.00 0.00 175.30 175.31 1pkd n ALA 201 N 1.44 0.98 -0.01 7.88 0.00 -1.26 -4.36 120.51 125.17 1pkd n ALA 201 Ca -0.23 0.29 -0.12 0.00 0.00 0.00 0.00 53.44 53.38 1pkd n ALA 201 Cb 0.55 -2.21 -0.10 0.00 0.00 0.00 0.00 19.45 17.70 1pkd n ALA 201 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1pkd h LEU 202 N 2.08 -0.06 -7.05 0.00 5.85 -1.92 -3.41 115.31 110.80 1pkd h LEU 202 Ca -0.46 -0.60 -0.62 0.00 0.84 0.00 0.00 57.88 57.04 1pkd h LEU 202 Cb 1.30 0.01 -0.41 0.00 0.37 0.00 0.00 40.66 41.94 1pkd h LEU 202 CO 0.60 0.63 -0.67 -0.36 -0.34 0.00 0.00 178.44 178.30 1pkd s PHE 203 N -3.13 2.87 -1.31 1.25 0.08 -1.26 -5.02 117.98 111.46 1pkd s PHE 203 Ca -0.15 -3.00 -0.07 0.00 0.12 0.00 0.00 56.93 53.83 1pkd s PHE 203 Cb -0.00 -2.36 0.13 0.00 -0.57 0.00 0.00 43.02 40.22 1pkd s PHE 203 CO 0.58 -0.67 2.21 -0.35 -0.10 0.00 0.00 175.22 176.89 1pkd n PRO 204 N 2.66 4.25 -1.48 0.24 -0.04 -1.26 -4.53 135.00 134.84 1pkd n PRO 204 Ca 0.15 -3.47 -0.33 0.00 -0.04 0.00 0.00 63.50 59.81 1pkd n PRO 204 Cb 0.36 -2.73 0.08 0.00 -0.04 0.00 0.00 33.50 31.16 1pkd n PRO 204 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1pkd s GLY 205 N 0.54 2.13 0.00 0.55 0.00 -1.26 -4.96 107.32 104.31 1pkd s GLY 205 Ca 0.49 0.65 0.20 0.00 0.00 0.00 0.00 44.72 46.06 1pkd s GLY 205 CO -0.06 1.03 0.90 1.22 0.00 0.00 0.00 173.10 176.19 1pkd n ASP 206 N -2.82 1.33 -3.73 1.64 8.00 -1.26 -4.86 116.55 114.85 1pkd n ASP 206 Ca 0.12 -1.17 -0.07 0.00 0.71 0.00 0.00 54.79 54.38 1pkd n ASP 206 Cb 0.51 0.78 -0.01 0.00 -0.02 0.00 0.00 41.12 42.38 1pkd n ASP 206 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1pkd s SER 207 N -2.61 -0.22 0.13 -2.24 1.04 -1.26 -5.03 113.70 103.51 1pkd s SER 207 Ca 0.11 -0.68 -0.21 0.00 0.48 0.00 0.00 55.95 55.65 1pkd s SER 207 Cb 0.15 0.74 -0.01 0.00 0.10 0.00 0.00 66.02 67.01 1pkd s SER 207 CO 0.68 -1.39 1.67 -0.33 0.98 0.00 0.00 173.24 174.85 1pkd h GLU 208 N 2.00 -0.13 -0.55 4.02 5.08 -1.99 0.11 114.58 123.12 1pkd h GLU 208 Ca -0.21 0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.12 1pkd h GLU 208 Cb 1.25 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.51 1pkd h GLU 208 CO 0.25 -0.09 0.20 0.82 -1.00 0.00 0.00 179.01 179.19 1pkd h ILE 209 N -0.14 1.23 -0.47 3.13 5.03 -1.97 -2.15 117.51 122.17 1pkd h ILE 209 Ca 0.11 -0.74 -0.10 0.00 -0.12 0.00 0.00 64.86 64.00 1pkd h ILE 209 Cb 0.30 0.68 -0.02 0.00 -3.03 0.00 0.00 36.82 34.75 1pkd h ILE 209 CO -0.26 0.28 -0.12 -0.78 -0.68 0.00 0.00 178.15 176.60 1pkd h ASP 210 N 0.76 0.85 0.04 1.72 3.58 -1.91 -0.10 116.42 121.35 1pkd h ASP 210 Ca 0.18 -0.27 -0.00 0.00 0.42 0.00 0.00 57.03 57.36 1pkd h ASP 210 Cb 0.24 -0.23 0.00 0.00 1.72 0.00 0.00 39.33 41.06 1pkd h ASP 210 CO -0.01 0.98 -0.02 -0.61 -2.88 0.00 0.00 179.24 176.71 1pkd h GLN 211 N 0.77 -0.05 -0.11 0.28 5.75 -0.64 -0.82 115.11 120.30 1pkd h GLN 211 Ca 0.13 0.00 0.02 0.00 -0.15 0.00 0.00 58.65 58.65 1pkd h GLN 211 Cb 0.63 0.01 -0.02 0.00 1.07 0.00 0.00 27.48 29.17 1pkd h GLN 211 CO 0.04 -0.03 -0.01 -0.07 -2.65 0.00 0.00 178.83 176.12 1pkd h LEU 212 N -0.05 -0.06 -0.63 -2.39 3.38 -1.11 -1.80 115.31 112.65 1pkd h LEU 212 Ca -0.00 0.03 0.08 0.00 0.09 0.00 0.00 57.88 58.07 1pkd h LEU 212 Cb 0.04 0.05 -0.06 0.00 0.09 0.00 0.00 40.66 40.78 1pkd h LEU 212 CO 0.01 -0.02 0.30 -0.26 0.09 0.00 0.00 178.44 178.56 1pkd h PHE 213 N 0.03 0.53 -0.21 1.13 -1.00 -0.88 -0.16 116.94 116.38 1pkd h PHE 213 Ca 0.05 0.03 -0.05 0.00 2.81 0.00 0.00 57.97 60.81 1pkd h PHE 213 Cb 0.07 -0.14 -0.01 0.00 3.61 0.00 0.00 35.95 39.47 1pkd h PHE 213 CO -0.14 0.20 -0.07 0.00 -1.61 0.00 0.00 178.31 176.69 1pkd h ARG 214 N 0.53 0.32 0.04 1.51 3.08 -0.82 -0.16 114.38 118.89 1pkd h ARG 214 Ca 0.30 -0.07 -0.00 0.00 0.07 0.00 0.00 59.98 60.28 1pkd h ARG 214 Cb 0.30 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.30 1pkd h ARG 214 CO -0.25 0.41 -0.02 0.82 -1.07 0.00 0.00 179.97 179.87 1pkd h ILE 215 N 0.31 1.30 -0.09 2.04 2.04 -0.39 -3.02 117.51 119.70 1pkd h ILE 215 Ca 0.07 -1.21 0.03 0.00 1.00 0.00 0.00 64.86 64.75 1pkd h ILE 215 Cb 0.33 2.09 -0.00 0.00 -0.74 0.00 0.00 36.82 38.50 1pkd h ILE 215 CO 0.02 0.30 0.09 -0.26 0.00 0.00 0.00 178.15 178.29 1pkd h PHE 216 N -0.60 0.00 0.31 1.37 0.04 -0.87 -0.85 116.94 116.33 1pkd h PHE 216 Ca -0.01 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.76 1pkd h PHE 216 Cb 0.54 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.65 1pkd h PHE 216 CO 0.10 0.00 -0.49 0.00 -0.60 0.00 0.00 178.31 177.32 1pkd h ARG 217 N 0.00 -0.82 0.23 1.51 2.47 -0.90 0.47 114.38 117.34 1pkd h ARG 217 Ca 0.04 0.06 -0.33 0.00 -1.26 0.00 0.00 59.98 58.49 1pkd h ARG 217 Cb 0.22 0.19 0.03 0.00 -1.65 0.00 0.00 29.97 28.76 1pkd h ARG 217 CO -0.00 -0.54 -1.48 1.15 0.56 0.00 0.00 179.97 179.66 1pkd h THR 218 N -0.85 1.28 -0.01 2.04 2.02 -1.41 -3.36 112.91 112.63 1pkd h THR 218 Ca -0.03 -2.74 0.00 0.00 0.77 0.00 0.00 66.41 64.41 1pkd h THR 218 Cb 0.78 3.01 0.00 0.00 -1.74 0.00 0.00 68.15 70.20 1pkd h THR 218 CO -0.16 0.83 -0.67 0.18 0.37 0.00 0.00 175.52 176.06 1pkd n LEU 219 N -3.68 1.50 -0.79 2.58 4.77 -0.35 -2.85 117.00 118.18 1pkd n LEU 219 Ca -0.16 -0.64 0.00 0.00 -0.03 0.00 0.00 56.01 55.17 1pkd n LEU 219 Cb 1.09 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.18 1pkd n LEU 219 CO 0.59 0.31 -0.03 0.61 -1.33 0.00 0.00 177.39 177.54 1pkd n GLY 220 N 1.41 -3.45 1.64 -0.72 0.00 0.14 -4.60 105.19 99.60 1pkd n GLY 220 Ca 0.06 -0.66 -0.29 0.00 0.00 0.00 0.00 46.02 45.13 1pkd n GLY 220 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1pkd n THR 221 N 0.11 0.00 -2.96 2.61 -1.04 -1.06 -4.84 114.28 107.11 1pkd n THR 221 Ca 0.00 0.00 -0.40 0.00 -2.04 0.00 0.00 64.05 61.61 1pkd n THR 221 Cb 0.00 -0.19 -0.04 0.00 -1.82 0.00 0.00 70.33 68.28 1pkd n THR 221 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1pkd s PRO 222 N 1.12 4.48 0.52 -2.82 0.04 -1.26 -4.88 135.00 132.20 1pkd s PRO 222 Ca 0.45 1.04 0.03 0.00 0.04 0.00 0.00 61.00 62.56 1pkd s PRO 222 Cb -0.65 -3.44 0.01 0.00 0.04 0.00 0.00 34.50 30.47 1pkd s PRO 222 CO 0.34 0.08 0.19 0.16 0.04 0.00 0.00 177.00 177.81 1pkd s ASP 223 N 0.70 4.37 0.63 6.66 1.47 -1.26 -4.93 116.67 124.31 1pkd s ASP 223 Ca 0.41 -1.46 0.38 0.00 1.18 0.00 0.00 52.55 53.07 1pkd s ASP 223 Cb -0.19 0.46 2.14 0.00 -0.34 0.00 0.00 42.92 44.99 1pkd s ASP 223 CO 0.21 -0.97 2.31 -0.33 0.68 0.00 0.00 175.17 177.07 1pkd h GLU 224 N 1.07 0.00 0.02 2.11 4.39 -1.98 -0.19 114.58 119.99 1pkd h GLU 224 Ca -0.41 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.29 1pkd h GLU 224 Cb 1.31 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.96 1pkd h GLU 224 CO 0.66 0.01 -0.01 0.28 -1.16 0.00 0.00 179.01 178.79 1pkd h VAL 225 N 0.00 1.50 0.00 3.13 2.07 -1.99 -2.70 116.25 118.26 1pkd h VAL 225 Ca -0.00 -1.73 -0.13 0.00 0.82 0.00 0.00 66.70 65.66 1pkd h VAL 225 Cb 0.04 2.64 -0.02 0.00 -1.52 0.00 0.00 31.29 32.43 1pkd h VAL 225 CO 0.00 0.44 -0.60 1.62 0.02 0.00 0.00 177.57 179.05 1pkd h VAL 226 N -0.79 1.35 -2.07 2.57 3.04 -1.87 -3.40 116.25 115.08 1pkd h VAL 226 Ca -0.00 -2.10 -0.40 0.00 -1.01 0.00 0.00 66.70 63.18 1pkd h VAL 226 Cb 0.73 2.16 -0.33 0.00 -2.01 0.00 0.00 31.29 31.84 1pkd h VAL 226 CO 0.00 0.59 -0.71 0.86 -1.01 0.00 0.00 177.57 177.30 1pkd s TRP 227 N -3.54 -0.13 -0.46 3.17 -0.00 -0.12 -4.54 118.94 113.33 1pkd s TRP 227 Ca -0.01 -0.93 -0.28 0.00 -0.00 0.00 0.00 56.10 54.88 1pkd s TRP 227 Cb 0.12 -0.50 -0.09 0.00 -0.00 0.00 0.00 33.47 33.01 1pkd s TRP 227 CO 0.75 -0.94 2.37 -2.30 -0.00 0.00 0.00 176.95 176.83 1pkd n PRO 228 N 4.27 1.15 0.00 5.86 -0.02 -1.02 -2.65 135.00 142.60 1pkd n PRO 228 Ca 0.10 0.16 0.00 0.00 -2.02 0.00 0.00 63.50 61.74 1pkd n PRO 228 Cb 0.44 -3.08 0.00 0.00 -0.02 0.00 0.00 33.50 30.84 1pkd n PRO 228 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1pkd n GLY 229 N 6.08 0.78 0.20 -1.23 0.00 -1.26 -5.05 105.19 104.71 1pkd n GLY 229 Ca 0.39 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.34 1pkd n GLY 229 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1pkd h VAL 230 N 0.00 0.55 -0.86 1.61 2.07 -1.84 -2.76 116.25 115.03 1pkd h VAL 230 Ca 0.00 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.62 1pkd h VAL 230 Cb 0.00 0.55 -0.06 0.00 -1.52 0.00 0.00 31.29 30.26 1pkd h VAL 230 CO 0.00 0.00 0.56 0.71 0.02 0.00 0.00 177.57 178.86 1pkd h THR 231 N -0.10 0.96 -0.37 2.57 1.35 -1.91 -2.42 112.91 112.99 1pkd h THR 231 Ca 0.15 -0.29 -0.17 0.00 -0.55 0.00 0.00 66.41 65.56 1pkd h THR 231 Cb 0.34 0.06 -0.10 0.00 -1.73 0.00 0.00 68.15 66.71 1pkd h THR 231 CO -0.36 0.15 0.21 -1.20 -0.25 0.00 0.00 175.52 174.07 1pkd n SER 232 N -4.52 3.22 -4.87 5.36 7.64 -1.04 -4.77 113.62 114.64 1pkd n SER 232 Ca 0.15 -2.59 -0.36 0.00 1.01 0.00 0.00 58.87 57.07 1pkd n SER 232 Cb 0.31 -0.62 -0.06 0.00 -1.01 0.00 0.00 64.21 62.83 1pkd n SER 232 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 1pkd s MET 233 N -1.41 3.55 0.08 1.43 -1.94 -0.91 -5.01 119.30 115.08 1pkd s MET 233 Ca 0.23 -0.04 0.12 0.00 -1.71 0.00 0.00 55.69 54.29 1pkd s MET 233 Cb 0.19 -3.17 0.55 0.00 2.01 0.00 0.00 34.83 34.41 1pkd s MET 233 CO 0.05 0.73 1.38 -2.30 -0.01 0.00 0.00 175.02 174.87 1pkd n PRO 234 N 1.73 0.05 -0.02 2.03 -0.02 -1.24 -1.58 135.00 135.94 1pkd n PRO 234 Ca -0.17 0.40 0.02 0.00 -2.02 0.00 0.00 63.50 61.73 1pkd n PRO 234 Cb 0.54 -1.61 0.02 0.00 -0.02 0.00 0.00 33.50 32.43 1pkd n PRO 234 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1pkd n ASP 235 N -1.71 1.65 -4.71 2.55 8.00 -1.04 -5.00 116.55 116.28 1pkd n ASP 235 Ca 0.02 -1.48 -0.42 0.00 0.71 0.00 0.00 54.79 53.62 1pkd n ASP 235 Cb 0.11 -0.03 -0.03 0.00 -0.02 0.00 0.00 41.12 41.15 1pkd n ASP 235 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 1pkd s TYR 236 N -0.55 3.36 -0.09 1.24 6.14 -0.62 -4.93 117.35 121.89 1pkd s TYR 236 Ca 0.05 1.15 0.03 0.00 0.64 0.00 0.00 57.07 58.94 1pkd s TYR 236 Cb 0.03 -3.53 -0.01 0.00 0.42 0.00 0.00 41.96 38.86 1pkd s TYR 236 CO 0.04 -1.75 -0.19 0.15 0.64 0.00 0.00 175.55 174.44 1pkd s LYS 237 N 1.06 2.97 0.58 4.97 1.02 -1.26 -4.93 119.74 124.14 1pkd s LYS 237 Ca 0.61 -0.79 0.32 0.00 0.02 0.00 0.00 55.97 56.13 1pkd s LYS 237 Cb -0.33 -2.39 1.76 0.00 -0.52 0.00 0.00 37.83 36.35 1pkd s LYS 237 CO 0.30 0.30 2.19 -1.35 -0.92 0.00 0.00 175.35 175.87 1pkd h PRO 238 N 6.35 0.00 0.00 -1.68 0.11 -1.96 -3.01 132.00 131.81 1pkd h PRO 238 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 1pkd h PRO 238 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1pkd h PRO 238 CO 0.51 0.05 0.00 -1.13 -0.21 0.00 0.00 178.00 177.21 1pkd n SER 239 N -3.58 0.00 -4.70 -2.05 3.41 -1.26 -4.79 113.62 100.65 1pkd n SER 239 Ca -0.02 -0.30 -0.42 0.00 -0.26 0.00 0.00 58.87 57.87 1pkd n SER 239 Cb 0.15 -0.15 -0.03 0.00 -0.26 0.00 0.00 64.21 63.93 1pkd n SER 239 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 1pkd s PHE 240 N -2.30 2.57 0.56 7.33 2.99 -1.14 -4.96 117.98 123.04 1pkd s PHE 240 Ca 0.24 0.38 -0.19 0.00 0.00 0.00 0.00 56.93 57.36 1pkd s PHE 240 Cb 0.13 -3.97 -0.05 0.00 0.00 0.00 0.00 43.02 39.14 1pkd s PHE 240 CO 0.26 -3.81 1.12 -2.14 -0.00 0.00 0.00 175.22 170.65 1pkd s PRO 241 N 2.27 3.28 -1.00 0.24 0.02 -1.26 -4.93 135.00 133.62 1pkd s PRO 241 Ca 0.73 1.53 -0.22 0.00 0.02 0.00 0.00 61.00 63.07 1pkd s PRO 241 Cb -0.41 -2.00 0.07 0.00 0.02 0.00 0.00 34.50 32.18 1pkd s PRO 241 CO 0.32 -0.89 1.36 0.15 -0.33 0.00 0.00 177.00 177.61 1pkd s LYS 242 N -3.47 3.60 -0.17 5.54 1.02 -1.26 -4.80 119.74 120.20 1pkd s LYS 242 Ca 0.71 -1.32 -0.08 0.00 0.02 0.00 0.00 55.97 55.30 1pkd s LYS 242 Cb -0.22 -5.23 -0.04 0.00 -0.52 0.00 0.00 37.83 31.81 1pkd s LYS 242 CO 0.29 -2.08 0.12 -1.58 -0.92 0.00 0.00 175.35 171.18 1pkd s TRP 243 N 4.30 3.44 0.44 3.18 0.51 -1.26 -5.02 118.94 124.53 1pkd s TRP 243 Ca 0.42 0.35 -0.22 0.00 -2.12 0.00 0.00 56.10 54.53 1pkd s TRP 243 Cb -0.01 -2.07 -0.08 0.00 -0.81 0.00 0.00 33.47 30.50 1pkd s TRP 243 CO -0.10 0.42 1.07 0.00 -0.51 0.00 0.00 176.95 177.84 1pkd s ALA 244 N -0.13 2.98 0.03 0.98 0.00 -1.26 -2.55 121.76 121.82 1pkd s ALA 244 Ca 0.10 0.73 -0.30 0.00 0.00 0.00 0.00 51.96 52.48 1pkd s ALA 244 Cb -0.11 -3.29 -0.05 0.00 0.00 0.00 0.00 23.12 19.66 1pkd s ALA 244 CO 0.00 -0.36 1.21 0.50 0.00 0.00 0.00 175.76 177.11 1pkd s ARG 245 N -2.79 4.40 0.56 0.00 3.52 -1.26 -4.44 118.95 118.95 1pkd s ARG 245 Ca 0.62 1.75 -0.18 0.00 -0.13 0.00 0.00 55.73 57.80 1pkd s ARG 245 Cb -0.22 -3.41 -0.05 0.00 -1.56 0.00 0.00 34.95 29.71 1pkd s ARG 245 CO 0.27 -0.32 1.09 -0.65 -0.81 0.00 0.00 175.30 174.88 1pkd s GLN 246 N 1.43 3.34 0.39 5.12 -0.21 -1.13 -4.93 119.66 123.67 1pkd s GLN 246 Ca 0.58 1.45 -0.22 0.00 0.02 0.00 0.00 55.36 57.19 1pkd s GLN 246 Cb -0.28 -2.02 -0.11 0.00 1.00 0.00 0.00 33.01 31.60 1pkd s GLN 246 CO 0.27 -0.83 0.93 0.16 -2.12 0.00 0.00 175.29 173.70 1pkd s ASP 247 N -2.14 7.02 0.24 5.90 -4.77 -1.26 -4.86 116.67 116.79 1pkd s ASP 247 Ca 0.69 1.68 0.22 0.00 -3.30 0.00 0.00 52.55 51.84 1pkd s ASP 247 Cb -0.20 -2.53 0.95 0.00 -1.09 0.00 0.00 42.92 40.05 1pkd s ASP 247 CO 0.30 -0.27 1.68 0.49 0.70 0.00 0.00 175.17 178.06 1pkd n PHE 248 N -0.32 0.73 0.78 2.11 3.01 -1.26 -0.55 117.46 121.96 1pkd n PHE 248 Ca 0.05 0.29 0.10 0.00 1.01 0.00 0.00 57.45 58.90 1pkd n PHE 248 Cb 0.53 -0.97 0.46 0.00 -0.01 0.00 0.00 39.48 39.48 1pkd n PHE 248 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 1pkd n SER 249 N -2.17 0.00 -0.10 4.37 3.41 -1.26 -1.66 113.62 116.20 1pkd n SER 249 Ca 0.02 0.33 -0.14 0.00 -0.26 0.00 0.00 58.87 58.82 1pkd n SER 249 Cb 0.21 -0.43 -0.10 0.00 -0.26 0.00 0.00 64.21 63.63 1pkd n SER 249 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1pkd n LYS 250 N -1.43 0.55 -0.20 4.33 4.01 0.29 -4.05 118.16 121.66 1pkd n LYS 250 Ca 0.06 0.11 -0.06 0.00 -0.51 0.00 0.00 58.31 57.91 1pkd n LYS 250 Cb 0.21 -1.41 -0.01 0.00 -0.51 0.00 0.00 35.03 33.31 1pkd n LYS 250 CO 0.00 0.00 0.00 0.28 -1.11 0.00 0.00 177.40 176.57 1pkd h VAL 251 N 0.00 0.14 -2.29 -0.18 2.07 -1.31 -3.38 116.25 111.31 1pkd h VAL 251 Ca -0.46 0.00 -0.44 0.00 0.82 0.00 0.00 66.70 66.62 1pkd h VAL 251 Cb 1.73 0.14 -0.35 0.00 -1.52 0.00 0.00 31.29 31.29 1pkd h VAL 251 CO -0.07 0.00 -0.73 -0.69 0.02 0.00 0.00 177.57 176.10 1pkd s VAL 252 N -5.95 -0.19 0.16 2.57 1.01 -0.67 -5.08 120.40 112.25 1pkd s VAL 252 Ca -0.14 -1.02 -0.24 0.00 0.00 0.00 0.00 61.98 60.58 1pkd s VAL 252 Cb 0.15 -0.91 0.03 0.00 0.00 0.00 0.00 36.38 35.65 1pkd s VAL 252 CO 0.68 -0.68 1.60 1.55 0.00 0.00 0.00 175.10 178.25 1pkd h PRO 253 N 7.55 -0.29 0.00 2.72 0.13 -1.75 -3.18 132.00 137.17 1pkd h PRO 253 Ca -0.03 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.12 1pkd h PRO 253 Cb 1.03 0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.23 1pkd h PRO 253 CO 0.28 -0.19 0.00 -2.30 -0.23 0.00 0.00 178.00 175.56 1pkd n PRO 254 N -5.42 0.94 -3.21 1.56 -0.02 -1.26 -4.86 135.00 122.73 1pkd n PRO 254 Ca -0.00 0.00 -0.36 0.00 -2.02 0.00 0.00 63.50 61.11 1pkd n PRO 254 Cb 0.34 -1.15 -0.06 0.00 -0.02 0.00 0.00 33.50 32.61 1pkd n PRO 254 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1pkd s LEU 255 N -1.30 4.39 0.00 2.45 2.96 -1.20 -5.09 118.68 120.88 1pkd s LEU 255 Ca 0.14 1.28 -0.08 0.00 -0.22 0.00 0.00 54.13 55.25 1pkd s LEU 255 Cb 0.06 -3.34 0.10 0.00 0.50 0.00 0.00 46.19 43.51 1pkd s LEU 255 CO 0.10 0.11 0.60 -0.90 -1.32 0.00 0.00 176.35 174.94 1pkd n ASP 256 N 0.97 -0.05 -0.17 3.68 3.85 -1.26 -4.82 116.55 118.74 1pkd n ASP 256 Ca -0.05 -1.19 -0.06 0.00 -0.71 0.00 0.00 54.79 52.78 1pkd n ASP 256 Cb 0.51 -0.46 0.11 0.00 -1.35 0.00 0.00 41.12 39.93 1pkd n ASP 256 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.20 176.11 1pkd h GLU 257 N 0.00 0.95 0.01 0.11 4.81 -1.99 -2.50 114.58 115.97 1pkd h GLU 257 Ca -0.19 -0.24 -0.00 0.00 -0.13 0.00 0.00 59.36 58.79 1pkd h GLU 257 Cb 0.54 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.80 1pkd h GLU 257 CO 0.14 0.89 -0.00 -0.44 -0.73 0.00 0.00 179.01 178.86 1pkd h ASP 258 N 0.89 -0.01 -0.25 1.04 3.32 -1.96 -2.43 116.42 117.03 1pkd h ASP 258 Ca 0.18 -0.62 0.06 0.00 0.02 0.00 0.00 57.03 56.68 1pkd h ASP 258 Cb 0.42 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 39.89 1pkd h ASP 258 CO 0.01 0.62 -0.30 1.23 -1.72 0.00 0.00 179.24 179.08 1pkd h GLY 259 N -0.64 -0.29 0.80 2.75 0.00 -1.93 -0.04 103.07 103.72 1pkd h GLY 259 Ca -0.00 0.37 0.10 0.00 0.00 0.00 0.00 47.33 47.80 1pkd h GLY 259 CO 0.00 -0.21 0.53 3.21 0.00 0.00 0.00 176.54 180.08 1pkd h ARG 260 N -0.30 0.75 0.21 4.80 3.08 -1.53 -0.00 114.38 121.38 1pkd h ARG 260 Ca 0.13 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.13 1pkd h ARG 260 Cb 0.52 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.40 1pkd h ARG 260 CO -0.42 0.49 -0.10 1.03 -1.07 0.00 0.00 179.97 179.90 1pkd h SER 261 N 0.77 -0.24 -0.52 7.04 0.87 -0.68 -2.60 113.55 118.20 1pkd h SER 261 Ca 0.38 -0.20 -0.03 0.00 -1.23 0.00 0.00 61.79 60.71 1pkd h SER 261 Cb 0.44 0.06 -0.02 0.00 -0.44 0.00 0.00 62.40 62.44 1pkd h SER 261 CO -0.15 0.08 0.19 0.25 -0.53 0.00 0.00 176.83 176.67 1pkd h LEU 262 N -0.58 0.73 -0.71 2.23 5.85 -0.81 -2.24 115.31 119.76 1pkd h LEU 262 Ca -0.03 -0.18 0.09 0.00 0.84 0.00 0.00 57.88 58.60 1pkd h LEU 262 Cb 0.43 -0.19 -0.07 0.00 0.37 0.00 0.00 40.66 41.20 1pkd h LEU 262 CO 0.05 0.71 0.35 0.25 -0.34 0.00 0.00 178.44 179.46 1pkd h LEU 263 N 0.70 0.46 -1.02 2.25 5.85 -1.03 0.17 115.31 122.68 1pkd h LEU 263 Ca 0.17 0.06 -0.08 0.00 0.84 0.00 0.00 57.88 58.87 1pkd h LEU 263 Cb 0.22 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.22 1pkd h LEU 263 CO -0.01 0.26 -0.20 0.77 -0.34 0.00 0.00 178.44 178.92 1pkd h SER 264 N 0.60 0.46 0.09 1.25 4.64 -1.29 0.11 113.55 119.41 1pkd h SER 264 Ca 0.35 -0.14 -0.13 0.00 -0.47 0.00 0.00 61.79 61.40 1pkd h SER 264 Cb 0.37 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 62.32 1pkd h SER 264 CO -0.27 0.67 -0.44 1.56 -0.87 0.00 0.00 176.83 177.48 1pkd h GLN 265 N 0.42 0.43 0.00 4.77 4.20 -0.62 -2.35 115.11 121.96 1pkd h GLN 265 Ca 0.07 -0.23 -0.10 0.00 0.06 0.00 0.00 58.65 58.45 1pkd h GLN 265 Cb 0.59 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.36 1pkd h GLN 265 CO 0.04 0.79 -0.47 0.52 -0.67 0.00 0.00 178.83 179.04 1pkd h MET 266 N 0.35 0.00 -0.54 1.46 2.86 -0.07 -2.71 114.93 116.28 1pkd h MET 266 Ca 0.03 0.00 -0.25 0.00 -2.06 0.00 0.00 59.70 57.42 1pkd h MET 266 Cb 0.92 0.00 -0.15 0.00 0.06 0.00 0.00 31.60 32.43 1pkd h MET 266 CO 0.08 0.47 0.14 1.28 1.06 0.00 0.00 176.91 179.94 1pkd n LEU 267 N -3.46 4.93 -4.73 1.22 4.77 0.31 -4.06 117.00 115.97 1pkd n LEU 267 Ca 0.00 -3.62 -0.42 0.00 -0.03 0.00 0.00 56.01 51.95 1pkd n LEU 267 Cb 0.60 -0.69 -0.03 0.00 -2.33 0.00 0.00 43.42 40.98 1pkd n LEU 267 CO 0.39 1.11 1.04 -2.28 -1.33 0.00 0.00 177.39 176.32 1pkd s HIS 268 N -3.20 3.19 0.09 -1.77 2.46 -0.90 -4.95 115.29 110.20 1pkd s HIS 268 Ca 0.48 1.08 -0.28 0.00 0.47 0.00 0.00 55.06 56.82 1pkd s HIS 268 Cb 0.42 -3.69 -0.15 0.00 -0.13 0.00 0.00 32.58 29.03 1pkd s HIS 268 CO 0.05 -2.26 1.67 1.88 -2.47 0.00 0.00 174.74 173.61 1pkd h TYR 269 N 5.67 -0.48 -2.64 3.88 0.05 -1.89 -3.41 116.97 118.15 1pkd h TYR 269 Ca -0.44 -0.00 -0.55 0.00 0.05 0.00 0.00 58.73 57.78 1pkd h TYR 269 Cb 1.21 0.17 -0.01 0.00 1.01 0.00 0.00 36.73 39.11 1pkd h TYR 269 CO 0.62 -0.28 1.11 0.34 -1.05 0.00 0.00 178.16 178.90 1pkd s ASP 270 N -4.80 6.54 0.39 3.88 -1.08 -1.26 -4.84 116.67 115.49 1pkd s ASP 270 Ca -0.15 2.03 0.05 0.00 -0.52 0.00 0.00 52.55 53.96 1pkd s ASP 270 Cb 0.05 -2.53 0.77 0.00 -1.46 0.00 0.00 42.92 39.75 1pkd s ASP 270 CO 0.64 -1.06 2.04 -0.65 0.52 0.00 0.00 175.17 176.66 1pkd h PRO 271 N 10.10 0.66 -0.20 4.34 0.11 -1.95 -0.82 132.00 144.24 1pkd h PRO 271 Ca -0.37 -0.04 -0.11 0.00 0.11 0.00 0.00 66.00 65.59 1pkd h PRO 271 Cb 1.17 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.12 1pkd h PRO 271 CO 0.97 0.44 -0.34 -0.91 -0.21 0.00 0.00 178.00 177.95 1pkd h ASN 272 N 0.68 0.43 1.18 -2.05 2.35 -1.95 -3.15 115.58 113.07 1pkd h ASN 272 Ca 0.19 -0.17 0.00 0.00 -0.55 0.00 0.00 56.30 55.77 1pkd h ASN 272 Cb -0.07 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 38.18 1pkd h ASN 272 CO -0.04 0.74 -0.42 0.11 -1.65 0.00 0.00 177.43 176.18 1pkd h LYS 273 N 0.36 0.00 -6.73 0.81 1.79 -1.79 -3.46 116.57 107.55 1pkd h LYS 273 Ca 0.04 0.00 -0.53 0.00 -2.18 0.00 0.00 60.65 57.99 1pkd h LYS 273 Cb 0.77 0.00 0.05 0.00 -1.58 0.00 0.00 32.23 31.47 1pkd h LYS 273 CO 0.06 0.00 0.74 0.50 -1.08 0.00 0.00 179.45 179.68 1pkd s ARG 274 N -3.17 4.29 0.45 3.15 3.52 -0.37 -4.95 118.95 121.87 1pkd s ARG 274 Ca 0.07 2.26 -0.24 0.00 -0.13 0.00 0.00 55.73 57.68 1pkd s ARG 274 Cb 0.12 -3.13 -0.09 0.00 -1.56 0.00 0.00 34.95 30.29 1pkd s ARG 274 CO 0.69 -0.40 1.27 1.51 -0.81 0.00 0.00 175.30 177.56 1pkd n ILE 275 N 2.47 2.82 -2.18 4.11 3.06 -1.03 -5.01 119.36 123.61 1pkd n ILE 275 Ca 0.07 -0.50 -0.32 0.00 -2.50 0.00 0.00 62.75 59.50 1pkd n ILE 275 Cb 0.41 -1.57 -0.02 0.00 0.54 0.00 0.00 39.64 39.01 1pkd n ILE 275 CO 0.00 0.00 0.00 -0.94 -2.50 0.00 0.00 176.55 173.11 1pkd s SER 276 N -0.63 6.43 0.29 9.51 1.04 -1.26 -4.92 113.70 124.16 1pkd s SER 276 Ca 0.63 1.52 -0.01 0.00 0.48 0.00 0.00 55.95 58.58 1pkd s SER 276 Cb -0.49 -2.50 0.46 0.00 0.10 0.00 0.00 66.02 63.60 1pkd s SER 276 CO 0.56 -0.72 1.92 0.00 0.98 0.00 0.00 173.24 175.98 1pkd h ALA 277 N 0.42 1.45 0.26 5.32 0.00 -1.94 -0.62 119.26 124.16 1pkd h ALA 277 Ca -0.46 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.40 1pkd h ALA 277 Cb 1.19 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1pkd h ALA 277 CO 0.61 0.45 -0.13 -0.22 0.00 0.00 0.00 179.25 179.96 1pkd h LYS 278 N 1.11 -0.34 -0.98 0.00 3.64 -1.92 -2.62 116.57 115.46 1pkd h LYS 278 Ca 0.37 0.02 0.06 0.00 -1.27 0.00 0.00 60.65 59.84 1pkd h LYS 278 Cb 0.08 0.08 -0.07 0.00 -0.41 0.00 0.00 32.23 31.91 1pkd h LYS 278 CO -0.12 -0.13 0.63 0.00 -2.27 0.00 0.00 179.45 177.55 1pkd h ALA 279 N 0.20 1.35 0.00 5.00 0.00 -1.91 -2.45 119.26 121.45 1pkd h ALA 279 Ca -0.04 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 1pkd h ALA 279 Cb 0.37 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 1pkd h ALA 279 CO 0.06 0.42 -0.08 0.00 0.00 0.00 0.00 179.25 179.65 1pkd h ALA 280 N 1.44 1.05 0.00 0.00 0.00 -1.00 -2.46 119.26 118.28 1pkd h ALA 280 Ca 0.42 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.22 1pkd h ALA 280 Cb 0.15 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 1pkd h ALA 280 CO -0.17 0.10 -0.15 -0.07 0.00 0.00 0.00 179.25 178.97 1pkd h LEU 281 N 0.00 0.00 0.00 0.00 3.38 -1.05 -2.70 115.31 114.94 1pkd h LEU 281 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1pkd h LEU 281 Cb 0.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.26 1pkd h LEU 281 CO 0.01 0.15 -0.13 0.00 0.09 0.00 0.00 178.44 178.55 1pkd n ALA 282 N -2.17 2.62 -1.77 1.53 0.00 -0.93 -4.93 120.51 114.86 1pkd n ALA 282 Ca 0.01 -0.15 -0.41 0.00 0.00 0.00 0.00 53.44 52.88 1pkd n ALA 282 Cb 0.41 -1.38 -0.00 0.00 0.00 0.00 0.00 19.45 18.48 1pkd n ALA 282 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 1pkd n HIS 283 N -1.59 2.98 0.14 0.00 -0.00 -1.02 -4.89 115.22 110.85 1pkd n HIS 283 Ca 0.06 0.39 0.03 0.00 -0.00 0.00 0.00 57.72 58.21 1pkd n HIS 283 Cb 0.35 -2.55 0.16 0.00 -0.00 0.00 0.00 29.99 27.95 1pkd n HIS 283 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.34 175.99 1pkd n PRO 284 N 0.89 0.03 0.20 1.57 -0.04 -1.26 -1.44 135.00 134.96 1pkd n PRO 284 Ca 0.03 0.46 0.07 0.00 -0.04 0.00 0.00 63.50 64.02 1pkd n PRO 284 Cb 0.38 -1.57 0.59 0.00 -0.04 0.00 0.00 33.50 32.86 1pkd n PRO 284 CO 0.00 0.00 0.00 0.35 -0.04 0.00 0.00 175.50 175.81 1pkd h PHE 285 N 0.00 0.11 -0.01 0.54 3.57 -1.90 -2.87 116.94 116.38 1pkd h PHE 285 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1pkd h PHE 285 Cb 0.07 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 38.77 1pkd h PHE 285 CO 0.00 0.07 -0.28 1.19 -2.23 0.00 0.00 178.31 177.06 1pkd n PHE 286 N -4.52 0.00 -0.41 0.41 3.72 -0.52 -4.50 117.46 111.63 1pkd n PHE 286 Ca -0.02 0.00 0.35 0.00 -0.05 0.00 0.00 57.45 57.73 1pkd n PHE 286 Cb 0.08 -0.07 0.66 0.00 -0.94 0.00 0.00 39.48 39.22 1pkd n PHE 286 CO 0.00 0.00 0.00 -0.56 -0.05 0.00 0.00 176.76 176.15 1pkd h GLN 287 N 1.86 0.13 -0.07 -1.08 3.07 -1.62 -1.24 115.11 116.17 1pkd h GLN 287 Ca 0.00 -0.01 -0.03 0.00 0.09 0.00 0.00 58.65 58.70 1pkd h GLN 287 Cb 0.60 -0.03 -0.02 0.00 0.08 0.00 0.00 27.48 28.11 1pkd h GLN 287 CO 0.00 0.09 -0.31 -0.40 0.09 0.00 0.00 178.83 178.30 1pkd n ASP 288 N -4.44 2.05 -4.72 0.06 5.75 -1.26 -5.05 116.55 108.94 1pkd n ASP 288 Ca 0.32 -3.69 -0.42 0.00 -0.01 0.00 0.00 54.79 50.99 1pkd n ASP 288 Cb 1.31 -0.53 -0.03 0.00 -1.03 0.00 0.00 41.12 40.84 1pkd n ASP 288 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1pkd s VAL 289 N -3.16 2.91 0.00 2.12 0.11 -0.47 -5.03 120.40 116.89 1pkd s VAL 289 Ca 0.38 0.66 0.00 0.00 -2.93 0.00 0.00 61.98 60.09 1pkd s VAL 289 Cb 0.36 -3.42 0.00 0.00 -1.53 0.00 0.00 36.38 31.79 1pkd s VAL 289 CO -0.03 0.05 0.00 0.35 -3.33 0.00 0.00 175.10 172.14 1pkd n THR 290 N 3.94 0.00 -3.64 5.04 -2.24 -1.26 -5.06 114.28 111.06 1pkd n THR 290 Ca 0.13 0.00 -0.27 0.00 -2.27 0.00 0.00 64.05 61.63 1pkd n THR 290 Cb 0.40 -0.31 -0.11 0.00 -2.10 0.00 0.00 70.33 68.22 1pkd n THR 290 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1pkd n LYS 291 N -0.28 1.19 -1.41 -0.78 4.81 -1.26 -4.44 118.16 115.99 1pkd n LYS 291 Ca 0.00 -3.93 -0.31 0.00 -0.87 0.00 0.00 58.31 53.20 1pkd n LYS 291 Cb 0.00 -1.99 0.08 0.00 0.02 0.00 0.00 35.03 33.13 1pkd n LYS 291 CO 0.00 0.00 0.00 -2.14 1.17 0.00 0.00 177.40 176.43 1pkd s PRO 292 N -0.94 2.47 -0.17 1.64 0.02 -1.26 -4.93 135.00 131.83 1pkd s PRO 292 Ca 0.30 1.01 -0.13 0.00 0.02 0.00 0.00 61.00 62.19 1pkd s PRO 292 Cb 0.01 -1.93 -0.05 0.00 0.02 0.00 0.00 34.50 32.55 1pkd s PRO 292 CO -0.17 -1.45 0.26 0.08 -0.33 0.00 0.00 177.00 175.39 1pkd s VAL 293 N -2.99 5.33 0.53 3.83 1.01 -1.26 -4.18 120.40 122.66 1pkd s VAL 293 Ca 0.60 0.47 -0.18 0.00 0.00 0.00 0.00 61.98 62.87 1pkd s VAL 293 Cb -0.16 -3.60 -0.06 0.00 0.00 0.00 0.00 36.38 32.56 1pkd s VAL 293 CO 0.55 0.41 1.05 -2.16 0.00 0.00 0.00 175.10 174.95 1pkd s PRO 294 N 0.40 3.60 -1.00 2.72 0.04 -1.26 -4.96 135.00 134.53 1pkd s PRO 294 Ca 0.15 1.31 -0.23 0.00 0.04 0.00 0.00 61.00 62.26 1pkd s PRO 294 Cb -0.13 -2.07 0.01 0.00 0.04 0.00 0.00 34.50 32.35 1pkd s PRO 294 CO 0.03 -0.59 1.69 -1.58 0.04 0.00 0.00 177.00 176.58 1pkd s HIS 295 N -2.16 2.23 -1.43 0.56 2.46 -1.26 -5.01 115.29 110.68 1pkd s HIS 295 Ca 0.66 -0.25 0.11 0.00 0.47 0.00 0.00 55.06 56.06 1pkd s HIS 295 Cb -0.16 -4.41 0.09 0.00 -0.13 0.00 0.00 32.58 27.96 1pkd s HIS 295 CO 0.27 -1.82 0.86 1.28 -2.47 0.00 0.00 174.74 172.86