#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pw2 h GLU 2 N 0.00 0.00 -0.00 2.12 3.07 -2.06 -3.01 114.58 114.71 1pw2 h GLU 2 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1pw2 h GLU 2 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 1pw2 h GLU 2 CO 0.00 0.00 -0.01 0.09 -1.40 0.00 0.00 179.01 177.69 1pw2 n ASN 3 N -2.74 0.15 -4.01 1.42 3.02 -1.26 -4.81 115.26 107.03 1pw2 n ASN 3 Ca 0.03 -0.86 -0.20 0.00 -0.03 0.00 0.00 54.58 53.52 1pw2 n ASN 3 Cb 0.36 -0.06 -0.15 0.00 -0.61 0.00 0.00 39.78 39.32 1pw2 n ASN 3 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1pw2 s PHE 4 N -2.13 0.95 -0.30 3.10 0.40 -1.14 -1.32 117.98 117.54 1pw2 s PHE 4 Ca 0.42 -0.23 -0.10 0.00 -0.60 0.00 0.00 56.93 56.42 1pw2 s PHE 4 Cb 0.21 -0.66 -0.03 0.00 0.51 0.00 0.00 43.02 43.05 1pw2 s PHE 4 CO 0.39 -0.08 0.17 1.14 0.70 0.00 0.00 175.22 177.54 1pw2 s GLN 5 N 0.11 3.62 -0.42 0.44 -2.07 -0.73 -4.73 119.66 115.87 1pw2 s GLN 5 Ca -0.02 -0.54 -0.28 0.00 -1.82 0.00 0.00 55.36 52.70 1pw2 s GLN 5 Cb -0.08 -3.62 -0.01 0.00 -1.09 0.00 0.00 33.01 28.22 1pw2 s GLN 5 CO 0.00 -0.31 1.67 0.15 -1.32 0.00 0.00 175.29 175.48 1pw2 s LYS 6 N 1.69 3.27 0.02 9.60 1.02 -1.26 -1.71 119.74 132.35 1pw2 s LYS 6 Ca 0.06 1.06 -0.23 0.00 0.02 0.00 0.00 55.97 56.88 1pw2 s LYS 6 Cb -0.16 -4.18 -0.17 0.00 -0.52 0.00 0.00 37.83 32.80 1pw2 s LYS 6 CO 0.08 -1.95 1.36 0.28 -0.92 0.00 0.00 175.35 174.20 1pw2 h VAL 7 N 6.69 1.33 -1.75 3.17 2.07 -0.86 -3.49 116.25 123.41 1pw2 h VAL 7 Ca -0.30 -1.06 0.27 0.00 0.82 0.00 0.00 66.70 66.43 1pw2 h VAL 7 Cb 1.14 1.90 -0.11 0.00 -1.52 0.00 0.00 31.29 32.70 1pw2 h VAL 7 CO 1.09 0.29 0.71 -1.83 0.02 0.00 0.00 177.57 177.86 1pw2 s GLU 8 N -4.52 0.65 -0.24 1.57 -1.05 -1.09 -4.99 118.70 109.03 1pw2 s GLU 8 Ca -0.15 -0.35 -0.24 0.00 -0.15 0.00 0.00 54.97 54.08 1pw2 s GLU 8 Cb 0.04 0.23 -0.01 0.00 -0.44 0.00 0.00 34.13 33.95 1pw2 s GLU 8 CO 0.70 -0.30 0.79 0.21 0.95 0.00 0.00 175.26 177.62 1pw2 s LYS 9 N -2.72 4.18 0.16 -4.83 2.20 -1.26 -0.40 119.74 117.07 1pw2 s LYS 9 Ca 0.13 0.88 0.06 0.00 -0.36 0.00 0.00 55.97 56.67 1pw2 s LYS 9 Cb 0.02 -3.64 -0.05 0.00 -1.51 0.00 0.00 37.83 32.65 1pw2 s LYS 9 CO -0.02 -0.48 1.36 0.82 -0.36 0.00 0.00 175.35 176.67 1pw2 h ILE 10 N 5.40 1.59 0.00 5.43 2.04 -0.83 -3.47 117.51 127.68 1pw2 h ILE 10 Ca -0.24 -2.94 0.00 0.00 1.00 0.00 0.00 64.86 62.67 1pw2 h ILE 10 Cb 1.10 2.62 0.00 0.00 -0.74 0.00 0.00 36.82 39.80 1pw2 h ILE 10 CO 0.85 0.85 0.00 0.61 0.00 0.00 0.00 178.15 180.46 1pw2 n GLY 11 N 1.02 -0.98 3.67 5.37 0.00 -1.10 -5.02 105.19 108.15 1pw2 n GLY 11 Ca -0.02 -1.37 -0.37 0.00 0.00 0.00 0.00 46.02 44.26 1pw2 n GLY 11 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1pw2 s GLU 12 N -1.99 4.12 0.67 1.61 0.41 -1.26 -1.45 118.70 120.81 1pw2 s GLU 12 Ca 0.00 -0.07 0.04 0.00 -0.41 0.00 0.00 54.97 54.53 1pw2 s GLU 12 Cb 0.00 -3.53 0.12 0.00 -1.78 0.00 0.00 34.13 28.94 1pw2 s GLU 12 CO 0.00 0.03 0.93 0.20 -0.49 0.00 0.00 175.26 175.93 1pw2 s GLY 13 N 1.01 1.74 0.20 -1.39 0.00 0.12 -4.92 107.32 104.07 1pw2 s GLY 13 Ca 0.12 -1.97 -0.07 0.00 0.00 0.00 0.00 44.72 42.80 1pw2 s GLY 13 CO 0.06 -1.42 1.63 -0.84 0.00 0.00 0.00 173.10 172.53 1pw2 h THR 14 N -0.27 1.27 0.00 0.90 2.02 -1.98 -3.30 112.91 111.55 1pw2 h THR 14 Ca -0.33 -1.25 0.00 0.00 0.77 0.00 0.00 66.41 65.60 1pw2 h THR 14 Cb 1.27 1.02 0.00 0.00 -1.74 0.00 0.00 68.15 68.71 1pw2 h THR 14 CO 0.39 0.43 -1.42 -1.22 0.37 0.00 0.00 175.52 174.08 1pw2 n TYR 15 N -4.14 0.00 -0.06 3.16 4.01 -1.26 -4.19 117.16 114.67 1pw2 n TYR 15 Ca 0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.75 1pw2 n TYR 15 Cb 0.40 -0.25 0.00 0.00 -0.31 0.00 0.00 39.34 39.18 1pw2 n TYR 15 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1pw2 n GLY 16 N 1.45 -1.86 3.75 2.72 0.00 -1.17 -2.13 105.19 107.96 1pw2 n GLY 16 Ca -0.01 -1.14 -0.38 0.00 0.00 0.00 0.00 46.02 44.49 1pw2 n GLY 16 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pw2 s VAL 17 N -2.02 2.17 -0.14 1.61 1.01 -1.26 -0.71 120.40 121.06 1pw2 s VAL 17 Ca 0.00 0.12 0.02 0.00 0.00 0.00 0.00 61.98 62.12 1pw2 s VAL 17 Cb 0.00 -3.06 0.00 0.00 0.00 0.00 0.00 36.38 33.32 1pw2 s VAL 17 CO 0.00 -0.00 -0.19 -0.69 0.00 0.00 0.00 175.10 174.21 1pw2 s VAL 18 N -1.33 2.34 0.11 2.92 1.01 -0.53 -2.48 120.40 122.45 1pw2 s VAL 18 Ca 0.71 -0.89 0.10 0.00 0.00 0.00 0.00 61.98 61.90 1pw2 s VAL 18 Cb -0.39 -1.95 -0.04 0.00 0.00 0.00 0.00 36.38 34.00 1pw2 s VAL 18 CO 0.46 0.54 -0.26 -0.31 0.00 0.00 0.00 175.10 175.53 1pw2 s TYR 19 N 0.69 2.22 -0.09 5.22 2.02 0.18 -0.11 117.35 127.48 1pw2 s TYR 19 Ca -0.09 -0.39 -0.18 0.00 -0.37 0.00 0.00 57.07 56.04 1pw2 s TYR 19 Cb -0.16 -1.23 -0.05 0.00 -0.40 0.00 0.00 41.96 40.13 1pw2 s TYR 19 CO 0.01 0.28 0.49 0.21 -1.57 0.00 0.00 175.55 174.96 1pw2 s LYS 20 N -1.87 4.29 0.15 -0.62 2.20 0.46 0.10 119.74 124.45 1pw2 s LYS 20 Ca 0.12 0.49 -0.07 0.00 -0.36 0.00 0.00 55.97 56.15 1pw2 s LYS 20 Cb -0.10 -3.40 -0.01 0.00 -1.51 0.00 0.00 37.83 32.81 1pw2 s LYS 20 CO 0.05 0.25 0.22 0.00 -0.36 0.00 0.00 175.35 175.51 1pw2 s ALA 21 N 0.31 0.17 -0.08 3.13 0.00 -0.29 -0.12 121.76 124.88 1pw2 s ALA 21 Ca 0.26 -0.98 0.04 0.00 0.00 0.00 0.00 51.96 51.28 1pw2 s ALA 21 Cb -0.16 0.81 -0.01 0.00 0.00 0.00 0.00 23.12 23.76 1pw2 s ALA 21 CO 0.12 -0.59 -0.21 0.50 0.00 0.00 0.00 175.76 175.57 1pw2 s ARG 22 N -3.97 2.84 -0.27 0.00 3.52 -0.70 0.31 118.95 120.69 1pw2 s ARG 22 Ca 0.17 -0.83 -0.29 0.00 -0.13 0.00 0.00 55.73 54.65 1pw2 s ARG 22 Cb 0.04 -2.31 0.00 0.00 -1.56 0.00 0.00 34.95 31.12 1pw2 s ARG 22 CO -0.01 0.32 1.23 1.21 -0.81 0.00 0.00 175.30 177.24 1pw2 s ASN 23 N 0.01 6.81 0.00 -2.12 3.84 0.28 -1.77 114.94 121.98 1pw2 s ASN 23 Ca -0.08 1.29 0.00 0.00 0.21 0.00 0.00 52.86 54.28 1pw2 s ASN 23 Cb -0.15 -2.54 0.00 0.00 -0.55 0.00 0.00 41.25 38.01 1pw2 s ASN 23 CO 0.05 -0.95 0.40 0.29 -2.79 0.00 0.00 177.10 174.10 1pw2 n LYS 24 N 7.02 0.46 0.00 0.43 5.02 -0.43 0.11 118.16 130.76 1pw2 n LYS 24 Ca 0.14 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.43 1pw2 n LYS 24 Cb 0.46 -1.06 0.00 0.00 -0.02 0.00 0.00 35.03 34.42 1pw2 n LYS 24 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1pw2 n LEU 25 N -0.31 0.33 0.08 -0.35 4.77 -1.26 -4.78 117.00 115.48 1pw2 n LEU 25 Ca 0.00 0.00 0.11 0.00 -0.03 0.00 0.00 56.01 56.09 1pw2 n LEU 25 Cb 0.03 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.12 1pw2 n LEU 25 CO 0.00 -0.05 -0.03 0.35 -1.33 0.00 0.00 177.39 176.34 1pw2 n THR 26 N -2.79 0.46 -0.94 -5.08 -2.24 -1.21 -4.95 114.28 97.53 1pw2 n THR 26 Ca 0.00 -0.47 0.00 0.00 -2.27 0.00 0.00 64.05 61.31 1pw2 n THR 26 Cb 0.38 -0.20 0.00 0.00 -2.10 0.00 0.00 70.33 68.41 1pw2 n THR 26 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1pw2 n GLY 27 N 1.23 0.88 3.79 3.38 0.00 0.12 -5.01 105.19 109.58 1pw2 n GLY 27 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 1pw2 n GLY 27 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1pw2 s GLU 28 N -0.11 3.83 -0.06 1.61 2.56 -1.25 -4.60 118.70 120.67 1pw2 s GLU 28 Ca 0.00 1.46 -0.15 0.00 0.00 0.00 0.00 54.97 56.28 1pw2 s GLU 28 Cb 0.00 -2.21 -0.05 0.00 2.00 0.00 0.00 34.13 33.87 1pw2 s GLU 28 CO 0.00 -0.42 0.38 0.14 -0.56 0.00 0.00 175.26 174.80 1pw2 s VAL 29 N -1.85 5.14 0.36 3.70 -7.23 -1.26 -0.56 120.40 118.70 1pw2 s VAL 29 Ca 0.65 0.77 0.06 0.00 -1.81 0.00 0.00 61.98 61.66 1pw2 s VAL 29 Cb -0.19 -3.70 -0.03 0.00 0.56 0.00 0.00 36.38 33.02 1pw2 s VAL 29 CO 0.24 0.50 0.24 0.68 -0.31 0.00 0.00 175.10 176.45 1pw2 s VAL 30 N -0.50 0.16 -0.26 1.32 -7.23 0.15 -4.26 120.40 109.77 1pw2 s VAL 30 Ca 0.22 -2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 58.37 1pw2 s VAL 30 Cb -0.15 -2.44 0.03 0.00 0.56 0.00 0.00 36.38 34.37 1pw2 s VAL 30 CO 0.11 0.00 -0.03 0.00 -0.31 0.00 0.00 175.10 174.86 1pw2 s ALA 31 N -3.37 2.77 -0.25 1.32 0.00 -0.12 -1.14 121.76 120.97 1pw2 s ALA 31 Ca 0.35 -1.50 -0.13 0.00 0.00 0.00 0.00 51.96 50.68 1pw2 s ALA 31 Cb 0.02 -1.79 -0.04 0.00 0.00 0.00 0.00 23.12 21.31 1pw2 s ALA 31 CO 0.24 -0.89 0.27 -0.51 0.00 0.00 0.00 175.76 174.87 1pw2 s LEU 32 N 1.34 4.07 -0.18 0.00 1.43 0.12 -0.76 118.68 124.70 1pw2 s LEU 32 Ca -0.00 0.20 -0.00 0.00 -1.03 0.00 0.00 54.13 53.30 1pw2 s LEU 32 Cb -0.17 -2.28 0.01 0.00 0.03 0.00 0.00 46.19 43.78 1pw2 s LEU 32 CO -0.03 -0.07 -0.16 -0.54 0.23 0.00 0.00 176.35 175.79 1pw2 s LYS 33 N 1.60 3.12 -0.11 1.70 1.02 -0.10 -0.65 119.74 126.33 1pw2 s LYS 33 Ca 0.12 -0.77 -0.20 0.00 0.02 0.00 0.00 55.97 55.14 1pw2 s LYS 33 Cb -0.15 -2.68 -0.04 0.00 -0.52 0.00 0.00 37.83 34.44 1pw2 s LYS 33 CO 0.08 -0.16 0.55 -1.59 -0.92 0.00 0.00 175.35 173.31 1pw2 s LYS 34 N 1.23 4.36 -0.23 1.68 -2.85 -1.04 -0.78 119.74 122.11 1pw2 s LYS 34 Ca 0.03 0.57 -0.08 0.00 -1.00 0.00 0.00 55.97 55.49 1pw2 s LYS 34 Cb -0.14 -3.45 -0.04 0.00 -2.06 0.00 0.00 37.83 32.15 1pw2 s LYS 34 CO -0.08 0.11 0.08 0.42 0.10 0.00 0.00 175.35 175.98 1pw2 s ILE 35 N 0.76 4.57 0.53 3.79 -1.09 -0.43 -3.02 121.20 126.30 1pw2 s ILE 35 Ca 0.29 -0.09 -0.06 0.00 -2.23 0.00 0.00 60.65 58.56 1pw2 s ILE 35 Cb -0.16 -3.11 -0.02 0.00 -1.58 0.00 0.00 42.46 37.59 1pw2 s ILE 35 CO 0.12 0.37 0.85 -0.13 -1.23 0.00 0.00 174.94 174.92 1pw2 s ARG 36 N 1.20 3.35 -0.28 2.79 3.00 -0.91 -4.21 118.95 123.89 1pw2 s ARG 36 Ca 0.05 0.19 0.02 0.00 0.00 0.00 0.00 55.73 55.99 1pw2 s ARG 36 Cb -0.14 -2.31 0.17 0.00 0.00 0.00 0.00 34.95 32.67 1pw2 s ARG 36 CO 0.04 -0.40 0.49 0.95 0.00 0.00 0.00 175.30 176.37 1pw2 s THR 41 N -2.87 -0.80 -0.09 0.02 -4.23 -1.26 -5.03 115.64 101.39 1pw2 s THR 41 Ca 0.50 -0.12 -0.02 0.00 -1.18 0.00 0.00 61.69 60.88 1pw2 s THR 41 Cb -0.10 -0.96 -0.05 0.00 1.34 0.00 0.00 72.50 72.72 1pw2 s THR 41 CO 0.46 -0.13 -0.10 -0.62 -0.54 0.00 0.00 174.62 173.70 1pw2 n GLU 42 N 5.39 0.21 0.00 3.99 1.02 -1.26 -5.01 120.64 124.98 1pw2 n GLU 42 Ca 0.01 0.07 0.00 0.00 -0.02 0.00 0.00 57.16 57.21 1pw2 n GLU 42 Cb 0.51 -1.02 0.00 0.00 -0.02 0.00 0.00 31.44 30.91 1pw2 n GLU 42 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1pw2 n GLY 43 N 2.79 0.00 2.40 0.62 0.00 -1.26 -5.09 105.19 104.64 1pw2 n GLY 43 Ca -0.17 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.83 1pw2 n GLY 43 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1pw2 n VAL 44 N 0.00-12.78 -1.74 1.61 0.31 -1.26 -4.86 118.33 99.61 1pw2 n VAL 44 Ca 0.00 2.88 -0.42 0.00 -0.01 0.00 0.00 64.34 66.79 1pw2 n VAL 44 Cb 0.00 -6.18 -0.03 0.00 -0.91 0.00 0.00 33.84 26.72 1pw2 n VAL 44 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1pw2 s PRO 45 N -0.69 4.12 0.59 5.55 0.04 -1.26 -4.85 135.00 138.50 1pw2 s PRO 45 Ca -0.13 2.60 0.29 0.00 0.04 0.00 0.00 61.00 63.81 1pw2 s PRO 45 Cb 0.01 -3.06 1.42 0.00 0.04 0.00 0.00 34.50 32.91 1pw2 s PRO 45 CO 0.34 -0.73 1.83 0.66 0.04 0.00 0.00 177.00 179.14 1pw2 h SER 46 N 6.37 0.00 -0.31 6.66 4.64 -2.00 -0.45 113.55 128.46 1pw2 h SER 46 Ca -0.44 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 60.86 1pw2 h SER 46 Cb 1.20 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.28 1pw2 h SER 46 CO 0.92 0.00 0.13 0.71 -0.87 0.00 0.00 176.83 177.72 1pw2 h THR 47 N 0.00 1.18 -0.36 2.95 1.35 -1.99 -1.03 112.91 115.01 1pw2 h THR 47 Ca 0.26 -0.53 -0.02 0.00 -0.55 0.00 0.00 66.41 65.57 1pw2 h THR 47 Cb 1.41 0.96 -0.02 0.00 -1.73 0.00 0.00 68.15 68.78 1pw2 h THR 47 CO -0.00 0.18 0.15 0.00 -0.25 0.00 0.00 175.52 175.60 1pw2 h ALA 48 N 0.97 0.46 -0.21 6.62 0.00 -1.35 -1.34 119.26 124.41 1pw2 h ALA 48 Ca 0.10 -0.13 0.04 0.00 0.00 0.00 0.00 54.91 54.93 1pw2 h ALA 48 Cb 0.17 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 1pw2 h ALA 48 CO -0.01 0.06 -0.05 0.82 0.00 0.00 0.00 179.25 180.07 1pw2 h ILE 49 N 0.43 0.79 -0.58 0.00 1.08 -1.37 0.33 117.51 118.20 1pw2 h ILE 49 Ca 0.12 -0.00 -0.03 0.00 -0.39 0.00 0.00 64.86 64.56 1pw2 h ILE 49 Cb 0.18 0.79 -0.03 0.00 -3.07 0.00 0.00 36.82 34.70 1pw2 h ILE 49 CO -0.01 0.00 0.24 0.03 -0.69 0.00 0.00 178.15 177.71 1pw2 h ARG 50 N 0.00 0.87 0.11 2.37 -0.00 -1.07 -0.70 114.38 115.97 1pw2 h ARG 50 Ca 0.10 -0.16 0.00 0.00 -0.50 0.00 0.00 59.98 59.42 1pw2 h ARG 50 Cb 0.15 -0.14 -0.01 0.00 0.00 0.00 0.00 29.97 29.97 1pw2 h ARG 50 CO -0.21 0.75 -0.09 0.93 0.00 0.00 0.00 179.97 181.35 1pw2 h GLU 51 N 0.81 -0.21 -0.60 0.04 4.39 -0.80 -2.11 114.58 116.10 1pw2 h GLU 51 Ca 0.20 0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.89 1pw2 h GLU 51 Cb 0.20 0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 28.87 1pw2 h GLU 51 CO -0.02 -0.14 0.30 0.82 -1.16 0.00 0.00 179.01 178.82 1pw2 h ILE 52 N -0.21 1.19 -0.60 3.13 2.04 -0.83 -1.80 117.51 120.43 1pw2 h ILE 52 Ca -0.00 -0.52 -0.02 0.00 1.00 0.00 0.00 64.86 65.31 1pw2 h ILE 52 Cb 0.19 0.41 -0.03 0.00 -0.74 0.00 0.00 36.82 36.65 1pw2 h ILE 52 CO -0.01 0.22 0.28 0.28 0.00 0.00 0.00 178.15 178.92 1pw2 h SER 53 N 0.85 0.77 -0.12 1.72 0.02 -0.80 -1.06 113.55 114.93 1pw2 h SER 53 Ca 0.21 -0.08 -0.05 0.00 -0.84 0.00 0.00 61.79 61.03 1pw2 h SER 53 Cb 0.07 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.40 1pw2 h SER 53 CO -0.03 0.66 -0.08 -0.07 -1.14 0.00 0.00 176.83 176.18 1pw2 h LEU 54 N 0.85 0.39 -1.89 5.07 3.38 -0.66 -2.49 115.31 119.96 1pw2 h LEU 54 Ca 0.21 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 58.07 1pw2 h LEU 54 Cb 0.11 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 1pw2 h LEU 54 CO -0.03 0.51 -0.12 -0.07 0.09 0.00 0.00 178.44 178.83 1pw2 h LEU 55 N 0.39 0.00 -0.78 1.67 3.38 -0.86 -1.97 115.31 117.14 1pw2 h LEU 55 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1pw2 h LEU 55 Cb 0.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.13 1pw2 h LEU 55 CO 0.02 0.12 0.00 1.17 0.09 0.00 0.00 178.44 179.84 1pw2 n LYS 56 N -3.63 0.18 -0.00 1.13 4.81 -0.94 -2.69 118.16 117.02 1pw2 n LYS 56 Ca -0.02 0.45 0.05 0.00 -0.87 0.00 0.00 58.31 57.93 1pw2 n LYS 56 Cb 0.24 -1.87 -0.13 0.00 0.02 0.00 0.00 35.03 33.29 1pw2 n LYS 56 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1pw2 n GLU 57 N -2.21 0.65 -2.79 1.64 4.71 -0.74 -4.71 120.64 117.18 1pw2 n GLU 57 Ca 0.02 -0.06 -0.43 0.00 -0.01 0.00 0.00 57.16 56.68 1pw2 n GLU 57 Cb 0.20 -1.61 -0.02 0.00 -1.01 0.00 0.00 31.44 29.00 1pw2 n GLU 57 CO 0.00 0.00 0.00 -0.48 0.09 0.00 0.00 177.13 176.74 1pw2 s LEU 58 N -5.01 4.48 -0.16 -4.62 2.34 -1.09 -4.96 118.68 109.65 1pw2 s LEU 58 Ca -0.07 -2.03 -0.08 0.00 0.06 0.00 0.00 54.13 52.02 1pw2 s LEU 58 Cb 0.11 -2.47 -0.04 0.00 -0.56 0.00 0.00 46.19 43.23 1pw2 s LEU 58 CO 0.86 -1.16 0.09 0.20 -1.06 0.00 0.00 176.35 175.28 1pw2 s ASN 59 N 3.98 5.95 -0.10 1.48 0.02 -1.26 -4.96 114.94 120.05 1pw2 s ASN 59 Ca 0.40 0.22 -0.23 0.00 -1.02 0.00 0.00 52.86 52.23 1pw2 s ASN 59 Cb -0.02 -1.98 0.05 0.00 0.02 0.00 0.00 41.25 39.32 1pw2 s ASN 59 CO -0.07 0.25 0.55 -2.28 0.02 0.00 0.00 177.10 175.57 1pw2 s HIS 60 N -0.07 -0.53 0.56 2.20 2.46 -1.26 -5.05 115.29 113.60 1pw2 s HIS 60 Ca 0.08 1.06 0.28 0.00 0.47 0.00 0.00 55.06 56.95 1pw2 s HIS 60 Cb -0.12 0.26 1.47 0.00 -0.13 0.00 0.00 32.58 34.07 1pw2 s HIS 60 CO 0.01 -0.45 1.95 -1.35 -2.47 0.00 0.00 174.74 172.42 1pw2 h PRO 61 N 3.98 0.00 -0.46 2.88 0.11 -1.99 -1.44 132.00 135.08 1pw2 h PRO 61 Ca -0.28 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.79 1pw2 h PRO 61 Cb 1.16 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.24 1pw2 h PRO 61 CO 0.31 0.00 0.04 0.09 -0.21 0.00 0.00 178.00 178.23 1pw2 n ASN 62 N -4.05 4.71 -4.08 -2.05 4.13 -1.26 -4.87 115.26 107.79 1pw2 n ASN 62 Ca 0.10 -3.06 -0.29 0.00 1.68 0.00 0.00 54.58 53.02 1pw2 n ASN 62 Cb 0.68 -0.64 -0.17 0.00 -1.54 0.00 0.00 39.78 38.11 1pw2 n ASN 62 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1pw2 s ILE 63 N -2.86 1.56 0.06 2.41 1.01 -0.54 -0.65 121.20 122.19 1pw2 s ILE 63 Ca 0.49 -0.69 -0.31 0.00 0.00 0.00 0.00 60.65 60.15 1pw2 s ILE 63 Cb 0.39 -1.42 -0.10 0.00 0.01 0.00 0.00 42.46 41.35 1pw2 s ILE 63 CO 0.12 0.45 1.94 0.52 0.00 0.00 0.00 174.94 177.97 1pw2 n VAL 64 N 4.12 0.66 -2.04 2.92 0.31 -0.46 -4.56 118.33 119.27 1pw2 n VAL 64 Ca -0.19 -0.12 -0.42 0.00 -0.01 0.00 0.00 64.34 63.60 1pw2 n VAL 64 Cb 0.51 -2.25 -0.03 0.00 -0.91 0.00 0.00 33.84 31.16 1pw2 n VAL 64 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 1pw2 s LYS 65 N 3.97 4.26 -0.53 5.55 2.20 -1.26 -4.83 119.74 129.10 1pw2 s LYS 65 Ca 0.87 2.24 -0.23 0.00 -0.36 0.00 0.00 55.97 58.48 1pw2 s LYS 65 Cb -0.46 -3.19 0.04 0.00 -1.51 0.00 0.00 37.83 32.71 1pw2 s LYS 65 CO 0.41 -0.53 0.88 -1.17 -0.36 0.00 0.00 175.35 174.58 1pw2 s LEU 66 N 1.10 4.22 -0.02 5.43 2.96 -1.26 -0.93 118.68 130.19 1pw2 s LEU 66 Ca 0.67 -0.36 -0.22 0.00 -0.22 0.00 0.00 54.13 54.00 1pw2 s LEU 66 Cb -0.41 -2.82 -0.23 0.00 0.50 0.00 0.00 46.19 43.23 1pw2 s LEU 66 CO 0.31 -1.13 1.08 -0.07 -1.32 0.00 0.00 176.35 175.22 1pw2 h LEU 67 N 10.68 0.39 -7.18 -0.68 4.07 -0.07 -3.45 115.31 119.07 1pw2 h LEU 67 Ca -0.26 -0.75 -0.06 0.00 0.08 0.00 0.00 57.88 56.89 1pw2 h LEU 67 Cb 1.08 -0.12 -0.17 0.00 1.08 0.00 0.00 40.66 42.53 1pw2 h LEU 67 CO 1.05 1.09 0.05 -1.81 -1.08 0.00 0.00 178.44 177.74 1pw2 s ASP 68 N -6.53 -0.46 -0.33 -0.43 1.01 -0.96 -4.99 116.67 103.98 1pw2 s ASP 68 Ca -0.14 0.26 0.01 0.00 0.71 0.00 0.00 52.55 53.39 1pw2 s ASP 68 Cb 0.02 0.49 0.08 0.00 1.01 0.00 0.00 42.92 44.53 1pw2 s ASP 68 CO 0.78 -0.69 0.03 -0.69 0.21 0.00 0.00 175.17 174.82 1pw2 s VAL 69 N -2.18 2.59 -0.43 -1.27 1.01 -1.26 -0.52 120.40 118.35 1pw2 s VAL 69 Ca -0.07 -1.94 -0.16 0.00 0.00 0.00 0.00 61.98 59.82 1pw2 s VAL 69 Cb -0.01 -2.71 0.03 0.00 0.00 0.00 0.00 36.38 33.69 1pw2 s VAL 69 CO 0.00 -0.39 0.36 -0.63 0.00 0.00 0.00 175.10 174.44 1pw2 s ILE 70 N 1.06 5.21 -0.39 2.22 1.01 0.12 -4.99 121.20 125.44 1pw2 s ILE 70 Ca 0.03 -0.65 -0.02 0.00 0.00 0.00 0.00 60.65 60.01 1pw2 s ILE 70 Cb -0.20 -4.00 0.10 0.00 0.01 0.00 0.00 42.46 38.37 1pw2 s ILE 70 CO -0.05 -0.39 0.16 -2.28 0.00 0.00 0.00 174.94 172.37 1pw2 s HIS 71 N 1.81 3.59 0.02 3.97 2.46 -1.26 -1.38 115.29 124.49 1pw2 s HIS 71 Ca 0.07 -2.46 -0.05 0.00 0.47 0.00 0.00 55.06 53.09 1pw2 s HIS 71 Cb -0.19 -3.06 -0.01 0.00 -0.13 0.00 0.00 32.58 29.18 1pw2 s HIS 71 CO 0.10 -0.95 0.08 0.99 -2.47 0.00 0.00 174.74 172.49 1pw2 s THR 72 N 1.11 0.10 -1.31 0.89 2.01 -1.09 -4.84 115.64 112.52 1pw2 s THR 72 Ca 0.07 -0.85 -0.06 0.00 0.31 0.00 0.00 61.69 61.16 1pw2 s THR 72 Cb -0.22 -0.49 0.04 0.00 0.01 0.00 0.00 72.50 71.85 1pw2 s THR 72 CO -0.05 -0.47 0.42 1.21 -0.69 0.00 0.00 174.62 175.05 1pw2 n GLU 73 N 1.34 -3.50 -3.71 4.92 2.13 -1.26 -1.61 120.64 118.95 1pw2 n GLU 73 Ca -0.22 0.60 -0.27 0.00 0.66 0.00 0.00 57.16 57.92 1pw2 n GLU 73 Cb 0.56 -5.32 0.03 0.00 0.27 0.00 0.00 31.44 26.98 1pw2 n GLU 73 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1pw2 n ASN 74 N -2.25 -3.75 -3.76 4.31 4.13 -1.26 -5.00 115.26 107.69 1pw2 n ASN 74 Ca -0.06 -0.96 -0.13 0.00 1.68 0.00 0.00 54.58 55.11 1pw2 n ASN 74 Cb 0.57 -3.56 -0.08 0.00 -1.54 0.00 0.00 39.78 35.17 1pw2 n ASN 74 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 1pw2 s LYS 75 N -5.98 0.74 -0.13 3.52 -0.14 -0.64 -4.84 119.74 112.29 1pw2 s LYS 75 Ca 0.30 -0.34 0.00 0.00 -1.36 0.00 0.00 55.97 54.58 1pw2 s LYS 75 Cb -0.10 0.32 -0.01 0.00 -1.68 0.00 0.00 37.83 36.36 1pw2 s LYS 75 CO 0.85 -0.22 -0.14 -0.51 -0.76 0.00 0.00 175.35 174.57 1pw2 s LEU 76 N -1.68 2.66 -0.06 3.17 1.43 -1.26 -2.67 118.68 120.27 1pw2 s LEU 76 Ca -0.09 -0.35 0.01 0.00 -1.03 0.00 0.00 54.13 52.67 1pw2 s LEU 76 Cb -0.03 -1.59 0.02 0.00 0.03 0.00 0.00 46.19 44.62 1pw2 s LEU 76 CO 0.01 0.17 -0.07 -0.31 0.23 0.00 0.00 176.35 176.37 1pw2 s TYR 77 N 0.33 1.09 -0.16 0.29 2.02 -0.48 -1.32 117.35 119.13 1pw2 s TYR 77 Ca -0.12 -0.39 -0.04 0.00 -0.37 0.00 0.00 57.07 56.16 1pw2 s TYR 77 Cb -0.16 -0.89 -0.03 0.00 -0.40 0.00 0.00 41.96 40.48 1pw2 s TYR 77 CO 0.06 -0.27 -0.02 -0.51 -1.57 0.00 0.00 175.55 173.24 1pw2 s LEU 78 N 0.97 3.31 -0.29 -1.29 1.43 0.04 -0.70 118.68 122.14 1pw2 s LEU 78 Ca -0.10 -0.11 -0.08 0.00 -1.03 0.00 0.00 54.13 52.81 1pw2 s LEU 78 Cb -0.15 -1.80 -0.00 0.00 0.03 0.00 0.00 46.19 44.27 1pw2 s LEU 78 CO 0.00 0.17 0.11 -0.69 0.23 0.00 0.00 176.35 176.16 1pw2 s VAL 79 N 0.39 4.26 0.28 -1.59 1.01 0.33 -0.92 120.40 124.16 1pw2 s VAL 79 Ca -0.03 -0.51 0.10 0.00 0.00 0.00 0.00 61.98 61.53 1pw2 s VAL 79 Cb -0.14 -3.16 -0.05 0.00 0.00 0.00 0.00 36.38 33.04 1pw2 s VAL 79 CO 0.03 0.11 -0.03 -0.36 0.00 0.00 0.00 175.10 174.85 1pw2 s PHE 80 N 1.56 2.61 0.47 5.22 0.08 0.06 0.68 117.98 128.67 1pw2 s PHE 80 Ca 0.04 -0.27 -0.24 0.00 0.12 0.00 0.00 56.93 56.57 1pw2 s PHE 80 Cb -0.17 -1.22 -0.07 0.00 -0.57 0.00 0.00 43.02 40.99 1pw2 s PHE 80 CO 0.04 0.61 1.37 -2.00 -0.10 0.00 0.00 175.22 175.14 1pw2 s GLU 81 N -3.66 3.60 -0.13 0.44 2.12 -0.11 -0.95 118.70 120.02 1pw2 s GLU 81 Ca 0.32 2.29 -0.12 0.00 0.36 0.00 0.00 54.97 57.83 1pw2 s GLU 81 Cb -0.05 -2.56 -0.05 0.00 0.26 0.00 0.00 34.13 31.73 1pw2 s GLU 81 CO 0.19 -0.84 0.25 0.12 -0.54 0.00 0.00 175.26 174.44 1pw2 s PHE 82 N -1.25 3.54 -0.02 5.30 5.36 -1.26 -4.48 117.98 125.17 1pw2 s PHE 82 Ca 0.63 0.61 0.04 0.00 -0.96 0.00 0.00 56.93 57.25 1pw2 s PHE 82 Cb -0.41 -2.20 -0.01 0.00 -0.34 0.00 0.00 43.02 40.06 1pw2 s PHE 82 CO 0.52 0.45 -0.14 -0.51 -1.46 0.00 0.00 175.22 174.08 1pw2 s LEU 83 N -0.22 1.97 0.51 6.12 1.02 -1.26 -5.02 118.68 121.80 1pw2 s LEU 83 Ca 0.16 -0.26 0.33 0.00 0.02 0.00 0.00 54.13 54.39 1pw2 s LEU 83 Cb -0.13 -0.73 1.50 0.00 0.02 0.00 0.00 46.19 46.85 1pw2 s LEU 83 CO 0.05 0.15 1.99 0.45 0.02 0.00 0.00 176.35 179.01 1pw2 h HIS 84 N 5.95 0.00 -2.65 0.29 3.86 -1.99 -3.47 115.15 117.14 1pw2 h HIS 84 Ca -0.34 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 58.83 1pw2 h HIS 84 Cb 1.16 0.00 -0.15 0.00 1.06 0.00 0.00 27.41 29.48 1pw2 h HIS 84 CO 0.41 0.00 0.15 -1.14 0.86 0.00 0.00 177.93 178.21 1pw2 s GLN 85 N -3.69 1.14 0.32 2.45 0.74 -1.24 -5.06 119.66 114.33 1pw2 s GLN 85 Ca 0.00 -0.19 0.08 0.00 0.05 0.00 0.00 55.36 55.30 1pw2 s GLN 85 Cb 0.10 0.53 -0.03 0.00 1.10 0.00 0.00 33.01 34.70 1pw2 s GLN 85 CO 0.47 -0.44 0.25 0.16 -0.55 0.00 0.00 175.29 175.18 1pw2 s ASP 86 N -2.07 5.21 0.43 6.67 1.47 -1.26 -0.68 116.67 126.44 1pw2 s ASP 86 Ca -0.04 -0.51 0.11 0.00 1.18 0.00 0.00 52.55 53.29 1pw2 s ASP 86 Cb -0.01 -0.99 0.95 0.00 -0.34 0.00 0.00 42.92 42.54 1pw2 s ASP 86 CO -0.03 -0.30 2.01 0.25 0.68 0.00 0.00 175.17 177.79 1pw2 h LEU 87 N 1.34 0.18 0.09 2.11 5.85 -0.55 -2.11 115.31 122.22 1pw2 h LEU 87 Ca -0.45 -0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.24 1pw2 h LEU 87 Cb 1.25 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 42.24 1pw2 h LEU 87 CO 0.59 0.25 -0.04 0.50 -0.34 0.00 0.00 178.44 179.40 1pw2 h LYS 88 N 0.20 -0.11 -0.67 1.25 3.64 -1.80 0.18 116.57 119.24 1pw2 h LYS 88 Ca 0.05 0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.39 1pw2 h LYS 88 Cb 0.19 0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.00 1pw2 h LYS 88 CO 0.01 0.01 0.23 0.87 -2.27 0.00 0.00 179.45 178.30 1pw2 h LYS 89 N -0.21 1.02 -0.58 1.90 1.57 -1.84 -1.34 116.57 117.08 1pw2 h LYS 89 Ca -0.01 -0.19 -0.05 0.00 -1.87 0.00 0.00 60.65 58.53 1pw2 h LYS 89 Cb 0.18 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.30 1pw2 h LYS 89 CO 0.02 0.85 0.16 0.35 -0.57 0.00 0.00 179.45 180.26 1pw2 h PHE 90 N 0.99 0.95 -0.42 -1.35 3.57 -1.09 -0.09 116.94 119.50 1pw2 h PHE 90 Ca 0.22 -0.10 -0.04 0.00 3.53 0.00 0.00 57.97 61.58 1pw2 h PHE 90 Cb 0.24 -0.27 -0.02 0.00 2.79 0.00 0.00 35.95 38.70 1pw2 h PHE 90 CO 0.02 0.80 0.09 0.52 -2.23 0.00 0.00 178.31 177.51 1pw2 h MET 91 N 0.82 0.68 -0.82 1.11 2.86 -0.36 -1.36 114.93 117.86 1pw2 h MET 91 Ca 0.18 -0.17 -0.02 0.00 -2.06 0.00 0.00 59.70 57.64 1pw2 h MET 91 Cb 0.32 -0.09 -0.04 0.00 0.06 0.00 0.00 31.60 31.85 1pw2 h MET 91 CO -0.00 0.70 0.45 -0.44 1.06 0.00 0.00 176.91 178.68 1pw2 h ASP 92 N 0.55 1.02 1.14 1.22 3.32 -0.99 -1.71 116.42 120.97 1pw2 h ASP 92 Ca 0.13 -0.09 -0.01 0.00 0.02 0.00 0.00 57.03 57.09 1pw2 h ASP 92 Cb 0.33 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 39.62 1pw2 h ASP 92 CO 0.00 0.82 -0.04 0.00 -1.72 0.00 0.00 179.24 178.30 1pw2 h ALA 93 N 1.35 1.00 -0.41 3.45 0.00 -0.71 -2.94 119.26 120.99 1pw2 h ALA 93 Ca 0.29 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 55.10 1pw2 h ALA 93 Cb 0.02 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 1pw2 h ALA 93 CO -0.05 0.05 0.04 0.43 0.00 0.00 0.00 179.25 179.73 1pw2 n SER 94 N -3.15 4.20 0.06 0.00 7.64 -0.54 -4.70 113.62 117.14 1pw2 n SER 94 Ca 0.01 -3.14 -0.12 0.00 1.01 0.00 0.00 58.87 56.63 1pw2 n SER 94 Cb 0.36 -0.62 -0.06 0.00 -1.01 0.00 0.00 64.21 62.88 1pw2 n SER 94 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1pw2 h ALA 95 N 2.21 -0.09 -0.66 -0.43 0.00 -1.23 1.87 119.26 120.93 1pw2 h ALA 95 Ca 0.08 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.03 1pw2 h ALA 95 Cb 1.73 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 19.56 1pw2 h ALA 95 CO 0.38 -0.56 0.44 -0.07 0.00 0.00 0.00 179.25 179.44 1pw2 h LEU 96 N -0.12 0.62 0.00 0.00 3.38 -1.85 -3.29 115.31 114.05 1pw2 h LEU 96 Ca 0.01 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1pw2 h LEU 96 Cb 0.13 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 1pw2 h LEU 96 CO -0.03 0.41 -1.26 0.35 0.09 0.00 0.00 178.44 178.00 1pw2 n THR 97 N -4.47 0.09 -0.03 0.22 -2.24 -1.17 -5.14 114.28 101.55 1pw2 n THR 97 Ca 0.09 -0.14 0.00 0.00 -2.27 0.00 0.00 64.05 61.73 1pw2 n THR 97 Cb 0.20 0.03 0.00 0.00 -2.10 0.00 0.00 70.33 68.46 1pw2 n THR 97 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1pw2 n GLY 98 N 2.35 -2.88 3.71 3.38 0.00 0.64 -4.86 105.19 107.52 1pw2 n GLY 98 Ca -0.03 -1.25 -0.42 0.00 0.00 0.00 0.00 46.02 44.33 1pw2 n GLY 98 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1pw2 s ILE 99 N -3.32 2.54 0.38 -0.61 1.01 -1.26 -4.92 121.20 115.03 1pw2 s ILE 99 Ca 0.00 0.34 -0.27 0.00 0.00 0.00 0.00 60.65 60.72 1pw2 s ILE 99 Cb 0.00 -3.22 -0.11 0.00 0.01 0.00 0.00 42.46 39.14 1pw2 s ILE 99 CO 0.00 0.02 1.27 -2.65 0.00 0.00 0.00 174.94 173.58 1pw2 n PRO 100 N 4.28 2.01 -0.30 2.79 -0.02 -1.26 -4.74 135.00 137.75 1pw2 n PRO 100 Ca 0.15 0.71 0.09 0.00 -2.02 0.00 0.00 63.50 62.43 1pw2 n PRO 100 Cb 0.38 -2.33 0.25 0.00 -0.02 0.00 0.00 33.50 31.78 1pw2 n PRO 100 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1pw2 h LEU 101 N 2.31 0.49 -1.26 2.45 5.85 -1.98 -0.58 115.31 122.59 1pw2 h LEU 101 Ca -0.47 0.11 0.07 0.00 0.84 0.00 0.00 57.88 58.43 1pw2 h LEU 101 Cb 1.29 0.04 -0.05 0.00 0.37 0.00 0.00 40.66 42.31 1pw2 h LEU 101 CO 0.61 0.16 0.54 -0.65 -0.34 0.00 0.00 178.44 178.76 1pw2 h PRO 102 N 0.57 0.86 -0.02 5.25 0.11 -1.99 0.42 132.00 137.19 1pw2 h PRO 102 Ca 0.50 -0.05 -0.20 0.00 0.11 0.00 0.00 66.00 66.36 1pw2 h PRO 102 Cb 0.79 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 31.70 1pw2 h PRO 102 CO -0.41 0.57 -0.84 1.25 -0.21 0.00 0.00 178.00 178.36 1pw2 h LEU 103 N 0.88 0.38 -0.15 2.35 5.85 -1.49 -1.90 115.31 121.25 1pw2 h LEU 103 Ca 0.36 -0.29 -0.01 0.00 0.84 0.00 0.00 57.88 58.79 1pw2 h LEU 103 Cb 0.26 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 1pw2 h LEU 103 CO -0.13 1.06 0.07 0.40 -0.34 0.00 0.00 178.44 179.50 1pw2 h ILE 104 N 0.19 1.13 -0.56 4.05 2.04 -0.41 0.00 117.51 123.94 1pw2 h ILE 104 Ca -0.05 -0.38 0.01 0.00 1.00 0.00 0.00 64.86 65.44 1pw2 h ILE 104 Cb 1.44 1.11 -0.03 0.00 -0.74 0.00 0.00 36.82 38.60 1pw2 h ILE 104 CO 0.14 0.12 0.36 0.50 0.00 0.00 0.00 178.15 179.27 1pw2 h LYS 105 N 0.11 0.72 -0.29 2.37 3.64 -0.93 0.01 116.57 122.20 1pw2 h LYS 105 Ca 0.05 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1pw2 h LYS 105 Cb 0.13 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.77 1pw2 h LYS 105 CO -0.01 0.48 0.17 1.03 -2.27 0.00 0.00 179.45 178.85 1pw2 h SER 106 N 0.74 0.36 -0.27 4.20 0.87 -1.10 -0.45 113.55 117.90 1pw2 h SER 106 Ca 0.21 -0.06 -0.01 0.00 -1.23 0.00 0.00 61.79 60.70 1pw2 h SER 106 Cb -0.06 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 61.80 1pw2 h SER 106 CO -0.06 0.31 0.15 1.88 -0.53 0.00 0.00 176.83 178.59 1pw2 h TYR 107 N 0.37 0.38 -0.79 2.24 0.05 -0.63 -0.70 116.97 117.88 1pw2 h TYR 107 Ca 0.11 -0.01 -0.01 0.00 0.05 0.00 0.00 58.73 58.86 1pw2 h TYR 107 Cb 0.03 -0.12 -0.04 0.00 1.01 0.00 0.00 36.73 37.61 1pw2 h TYR 107 CO -0.04 0.32 0.45 1.25 -1.05 0.00 0.00 178.16 179.08 1pw2 h LEU 108 N 0.33 0.98 -0.24 3.88 5.85 -0.82 0.56 115.31 125.84 1pw2 h LEU 108 Ca 0.10 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.73 1pw2 h LEU 108 Cb 0.07 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 40.84 1pw2 h LEU 108 CO -0.02 0.78 0.15 0.15 -0.34 0.00 0.00 178.44 179.17 1pw2 h PHE 109 N 1.09 0.31 -0.46 1.25 3.57 -0.85 -0.28 116.94 121.56 1pw2 h PHE 109 Ca 0.28 0.00 -0.11 0.00 3.53 0.00 0.00 57.97 61.67 1pw2 h PHE 109 Cb 0.01 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 38.63 1pw2 h PHE 109 CO -0.00 0.21 -0.14 1.96 -2.23 0.00 0.00 178.31 178.11 1pw2 h GLN 110 N 0.31 0.90 -0.75 1.11 4.20 -0.82 -2.11 115.11 117.95 1pw2 h GLN 110 Ca 0.09 -0.36 -0.01 0.00 0.06 0.00 0.00 58.65 58.42 1pw2 h GLN 110 Cb -0.01 -0.04 -0.04 0.00 0.30 0.00 0.00 27.48 27.69 1pw2 h GLN 110 CO -0.02 1.01 0.42 -0.07 -0.67 0.00 0.00 178.83 179.50 1pw2 h LEU 111 N 0.74 0.94 -1.02 1.46 4.07 -0.69 -1.21 115.31 119.60 1pw2 h LEU 111 Ca 0.11 -0.09 -0.06 0.00 0.08 0.00 0.00 57.88 57.92 1pw2 h LEU 111 Cb 0.70 -0.24 -0.02 0.00 1.08 0.00 0.00 40.66 42.18 1pw2 h LEU 111 CO 0.05 0.76 0.03 -0.07 -1.08 0.00 0.00 178.44 178.13 1pw2 h LEU 112 N 1.04 0.69 -0.76 1.67 3.38 -0.91 -0.59 115.31 119.84 1pw2 h LEU 112 Ca 0.27 -0.15 -0.03 0.00 0.09 0.00 0.00 57.88 58.06 1pw2 h LEU 112 Cb 0.02 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.55 1pw2 h LEU 112 CO -0.04 0.75 0.36 1.56 0.09 0.00 0.00 178.44 181.15 1pw2 h GLN 113 N 0.69 1.11 -0.32 1.13 4.20 -0.67 0.15 115.11 121.40 1pw2 h GLN 113 Ca 0.14 -0.17 -0.02 0.00 0.06 0.00 0.00 58.65 58.67 1pw2 h GLN 113 Cb 0.38 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 27.95 1pw2 h GLN 113 CO 0.01 0.86 0.13 0.78 -0.67 0.00 0.00 178.83 179.94 1pw2 h GLY 114 N 1.08 0.51 0.94 3.46 0.00 -0.55 -2.02 103.07 106.49 1pw2 h GLY 114 Ca 0.26 -0.28 -0.02 0.00 0.00 0.00 0.00 47.33 47.29 1pw2 h GLY 114 CO -0.03 0.26 0.15 1.41 0.00 0.00 0.00 176.54 178.33 1pw2 h LEU 115 N 0.37 0.55 -0.87 3.11 4.07 -0.77 -2.31 115.31 119.46 1pw2 h LEU 115 Ca 0.11 -0.17 0.09 0.00 0.08 0.00 0.00 57.88 57.99 1pw2 h LEU 115 Cb 0.18 -0.14 -0.07 0.00 1.08 0.00 0.00 40.66 41.71 1pw2 h LEU 115 CO -0.01 0.58 0.52 0.00 -1.08 0.00 0.00 178.44 178.44 1pw2 h ALA 116 N 1.00 1.25 0.60 1.53 0.00 -0.57 0.38 119.26 123.46 1pw2 h ALA 116 Ca 0.13 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 1pw2 h ALA 116 Cb 0.20 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 17.83 1pw2 h ALA 116 CO -0.01 0.15 -0.29 0.35 0.00 0.00 0.00 179.25 179.46 1pw2 h PHE 117 N 0.86 -0.75 -0.67 0.00 3.57 -1.08 -1.44 116.94 117.43 1pw2 h PHE 117 Ca 0.42 -0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.86 1pw2 h PHE 117 Cb 0.36 0.25 -0.03 0.00 2.79 0.00 0.00 35.95 39.32 1pw2 h PHE 117 CO -0.04 -0.43 0.26 0.00 -2.23 0.00 0.00 178.31 175.87 1pw2 h HIS 119 N 0.97 0.13 0.00 0.00 3.86 -0.22 0.65 115.15 120.54 1pw2 h HIS 119 Ca 0.23 -0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.41 1pw2 h HIS 119 Cb 0.19 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 28.63 1pw2 h HIS 119 CO 0.02 0.42 0.00 0.66 0.86 0.00 0.00 177.93 179.89 1pw2 h SER 120 N 0.10 0.00 -0.70 2.45 4.64 -0.74 -1.54 113.55 117.76 1pw2 h SER 120 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1pw2 h SER 120 Cb 0.61 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.70 1pw2 h SER 120 CO 0.04 0.00 0.00 1.41 -0.87 0.00 0.00 176.83 177.41 1pw2 n HIS 121 N -3.08 1.14 -2.35 4.77 8.25 -0.68 -4.94 115.22 118.33 1pw2 n HIS 121 Ca 0.01 -0.54 -0.17 0.00 -0.26 0.00 0.00 57.72 56.77 1pw2 n HIS 121 Cb 0.33 -0.08 -0.01 0.00 1.12 0.00 0.00 29.99 31.35 1pw2 n HIS 121 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1pw2 n ARG 122 N 1.45 -1.50 -4.83 -0.41 1.74 -0.58 -5.00 116.66 107.53 1pw2 n ARG 122 Ca 0.25 0.80 -0.33 0.00 -0.77 0.00 0.00 57.85 57.80 1pw2 n ARG 122 Cb 0.71 -5.22 -0.15 0.00 -1.02 0.00 0.00 32.46 26.78 1pw2 n ARG 122 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1pw2 s VAL 123 N -2.84 2.92 0.35 1.55 1.01 0.14 -5.00 120.40 118.53 1pw2 s VAL 123 Ca 0.02 -0.71 0.08 0.00 0.00 0.00 0.00 61.98 61.37 1pw2 s VAL 123 Cb -0.01 -2.22 -0.07 0.00 0.00 0.00 0.00 36.38 34.09 1pw2 s VAL 123 CO 0.02 0.53 -0.05 -1.48 0.00 0.00 0.00 175.10 174.12 1pw2 s LEU 124 N 0.35 2.72 -0.15 3.92 0.05 -1.26 -3.25 118.68 121.05 1pw2 s LEU 124 Ca -0.12 -1.26 -0.11 0.00 0.05 0.00 0.00 54.13 52.69 1pw2 s LEU 124 Cb -0.16 -0.89 -0.07 0.00 -2.05 0.00 0.00 46.19 43.02 1pw2 s LEU 124 CO 0.06 -0.31 -0.04 -0.74 -0.55 0.00 0.00 176.35 174.76 1pw2 h HIS 125 N 1.98 0.00 0.00 3.48 -0.00 -1.95 -3.15 115.15 115.51 1pw2 h HIS 125 Ca -0.42 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 59.95 1pw2 h HIS 125 Cb 1.24 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.65 1pw2 h HIS 125 CO 0.74 0.35 0.00 -2.13 -0.00 0.00 0.00 177.93 176.89 1pw2 n ARG 126 N -4.60 0.00 -2.67 5.26 0.00 -1.26 -4.30 116.66 109.09 1pw2 n ARG 126 Ca -0.12 0.00 -0.08 0.00 -0.00 0.00 0.00 57.85 57.65 1pw2 n ARG 126 Cb 0.33 -0.97 0.04 0.00 0.00 0.00 0.00 32.46 31.86 1pw2 n ARG 126 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 1pw2 n ASP 127 N 0.00 1.14 -4.73 6.15 2.03 -1.26 -5.01 116.55 114.86 1pw2 n ASP 127 Ca 0.00 -2.65 -0.41 0.00 0.52 0.00 0.00 54.79 52.25 1pw2 n ASP 127 Cb 0.00 -0.38 -0.03 0.00 -0.72 0.00 0.00 41.12 39.98 1pw2 n ASP 127 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1pw2 s LEU 128 N -3.17 4.42 0.11 -2.67 1.43 -1.26 -4.93 118.68 112.60 1pw2 s LEU 128 Ca 0.26 2.30 -0.25 0.00 -1.03 0.00 0.00 54.13 55.42 1pw2 s LEU 128 Cb 0.45 -3.60 0.07 0.00 0.03 0.00 0.00 46.19 43.13 1pw2 s LEU 128 CO 0.02 -0.49 0.62 -1.59 0.23 0.00 0.00 176.35 175.15 1pw2 s LYS 129 N 0.10 1.22 0.44 1.70 -2.85 -1.26 -4.76 119.74 114.33 1pw2 s LYS 129 Ca 0.57 -0.30 0.22 0.00 -1.00 0.00 0.00 55.97 55.46 1pw2 s LYS 129 Cb -0.35 0.56 1.21 0.00 -2.06 0.00 0.00 37.83 37.20 1pw2 s LYS 129 CO 0.36 -0.50 1.81 -1.35 0.10 0.00 0.00 175.35 175.77 1pw2 h PRO 130 N 2.23 0.29 -0.35 1.78 0.11 -1.95 -0.49 132.00 133.62 1pw2 h PRO 130 Ca -0.32 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.77 1pw2 h PRO 130 Cb 1.27 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 32.30 1pw2 h PRO 130 CO 0.38 0.19 0.23 0.37 -0.21 0.00 0.00 178.00 178.96 1pw2 h GLN 131 N 0.29 0.46 -0.67 1.05 4.15 -1.95 -2.73 115.11 115.72 1pw2 h GLN 131 Ca 0.54 -0.03 -0.25 0.00 0.77 0.00 0.00 58.65 59.68 1pw2 h GLN 131 Cb 1.57 -0.10 -0.15 0.00 0.21 0.00 0.00 27.48 29.00 1pw2 h GLN 131 CO -0.19 0.31 0.26 0.27 -1.93 0.00 0.00 178.83 177.55 1pw2 n ASN 132 N -4.48 4.06 -4.19 -0.69 0.23 -0.19 -4.78 115.26 105.21 1pw2 n ASN 132 Ca 0.02 -3.39 -0.35 0.00 -0.53 0.00 0.00 54.58 50.33 1pw2 n ASN 132 Cb 0.07 -0.72 -0.13 0.00 -2.08 0.00 0.00 39.78 36.91 1pw2 n ASN 132 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 1pw2 s LEU 133 N -3.09 3.93 -0.03 -4.53 1.02 -1.04 -0.06 118.68 114.87 1pw2 s LEU 133 Ca 0.52 -1.23 -0.03 0.00 0.02 0.00 0.00 54.13 53.41 1pw2 s LEU 133 Cb 0.43 -1.73 -0.04 0.00 0.02 0.00 0.00 46.19 44.87 1pw2 s LEU 133 CO 0.10 -0.26 0.12 -0.76 0.02 0.00 0.00 176.35 175.57 1pw2 s LEU 134 N 1.28 4.13 0.14 1.79 1.43 0.49 -0.39 118.68 127.55 1pw2 s LEU 134 Ca -0.05 0.28 0.07 0.00 -1.03 0.00 0.00 54.13 53.40 1pw2 s LEU 134 Cb -0.20 -2.31 -0.04 0.00 0.03 0.00 0.00 46.19 43.67 1pw2 s LEU 134 CO -0.01 0.30 -0.16 0.27 0.23 0.00 0.00 176.35 176.98 1pw2 s ILE 135 N -1.18 1.57 0.43 -0.59 -4.36 0.14 0.66 121.20 117.87 1pw2 s ILE 135 Ca 0.22 -1.78 0.04 0.00 -0.26 0.00 0.00 60.65 58.87 1pw2 s ILE 135 Cb -0.12 -1.66 -0.05 0.00 1.25 0.00 0.00 42.46 41.88 1pw2 s ILE 135 CO 0.13 -0.34 0.02 0.54 0.24 0.00 0.00 174.94 175.53 1pw2 s ASN 136 N -2.49 3.66 0.00 4.36 2.20 -0.99 -3.59 114.94 118.10 1pw2 s ASN 136 Ca 0.11 -1.49 0.15 0.00 -0.94 0.00 0.00 52.86 50.70 1pw2 s ASN 136 Cb -0.06 0.02 0.75 0.00 -2.00 0.00 0.00 41.25 39.97 1pw2 s ASN 136 CO 0.05 -0.64 1.44 0.35 -2.94 0.00 0.00 177.10 175.35 1pw2 n THR 137 N -1.02 0.63 0.87 0.54 -2.24 -1.26 -2.99 114.28 108.80 1pw2 n THR 137 Ca -0.09 0.16 0.11 0.00 -2.27 0.00 0.00 64.05 61.96 1pw2 n THR 137 Cb 0.67 -0.90 0.30 0.00 -2.10 0.00 0.00 70.33 68.29 1pw2 n THR 137 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1pw2 n GLU 138 N -1.32 2.07 -0.32 -0.78 1.02 -1.26 -4.58 120.64 115.47 1pw2 n GLU 138 Ca 0.07 -1.61 0.00 0.00 -0.02 0.00 0.00 57.16 55.60 1pw2 n GLU 138 Cb 0.13 -1.45 0.00 0.00 -0.02 0.00 0.00 31.44 30.10 1pw2 n GLU 138 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1pw2 n GLY 139 N 1.29 0.82 3.92 0.62 0.00 -1.16 -4.79 105.19 105.89 1pw2 n GLY 139 Ca 0.17 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.92 1pw2 n GLY 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pw2 s ALA 140 N -2.09 3.74 -0.01 4.61 0.00 -1.26 -4.88 121.76 121.87 1pw2 s ALA 140 Ca 0.00 -0.77 0.01 0.00 0.00 0.00 0.00 51.96 51.20 1pw2 s ALA 140 Cb 0.00 -2.11 0.00 0.00 0.00 0.00 0.00 23.12 21.01 1pw2 s ALA 140 CO 0.00 0.28 -0.02 -1.50 0.00 0.00 0.00 175.76 174.52 1pw2 s ILE 141 N -2.03 0.17 0.04 0.00 2.07 -1.26 -2.36 121.20 117.84 1pw2 s ILE 141 Ca 0.40 -0.06 0.03 0.00 -1.41 0.00 0.00 60.65 59.62 1pw2 s ILE 141 Cb -0.11 -0.17 -0.02 0.00 0.13 0.00 0.00 42.46 42.29 1pw2 s ILE 141 CO 0.31 0.07 -0.11 -0.54 -1.91 0.00 0.00 174.94 172.76 1pw2 s LYS 142 N 0.14 0.68 -0.15 3.50 1.02 0.21 -4.68 119.74 120.46 1pw2 s LYS 142 Ca -0.01 -0.74 -0.23 0.00 0.02 0.00 0.00 55.97 55.01 1pw2 s LYS 142 Cb -0.03 -0.59 -0.02 0.00 -0.52 0.00 0.00 37.83 36.67 1pw2 s LYS 142 CO -0.00 0.13 0.73 -0.51 -0.92 0.00 0.00 175.35 174.78 1pw2 s LEU 143 N -1.34 4.21 0.15 3.17 1.02 0.18 -0.38 118.68 125.68 1pw2 s LEU 143 Ca -0.04 1.07 0.03 0.00 0.02 0.00 0.00 54.13 55.21 1pw2 s LEU 143 Cb -0.09 -3.08 -0.04 0.00 0.02 0.00 0.00 46.19 43.01 1pw2 s LEU 143 CO 0.01 -0.27 0.24 0.00 0.02 0.00 0.00 176.35 176.35 1pw2 s ALA 144 N 1.67 3.87 -1.82 4.21 0.00 0.92 -1.36 121.76 129.24 1pw2 s ALA 144 Ca 0.35 -1.07 0.00 0.00 0.00 0.00 0.00 51.96 51.24 1pw2 s ALA 144 Cb -0.17 -1.68 0.00 0.00 0.00 0.00 0.00 23.12 21.28 1pw2 s ALA 144 CO 0.13 0.55 0.00 -0.25 0.00 0.00 0.00 175.76 176.19 1pw2 n ASP 145 N -0.45 -5.55 -4.76 0.00 8.00 -1.26 -4.88 116.55 107.65 1pw2 n ASP 145 Ca -0.07 0.15 -0.41 0.00 0.71 0.00 0.00 54.79 55.17 1pw2 n ASP 145 Cb 0.54 -4.65 -0.02 0.00 -0.02 0.00 0.00 41.12 36.97 1pw2 n ASP 145 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 1pw2 s PHE 146 N -2.90 2.92 0.00 1.24 2.19 -1.26 -2.74 117.98 117.44 1pw2 s PHE 146 Ca 0.00 1.11 0.00 0.00 0.33 0.00 0.00 56.93 58.37 1pw2 s PHE 146 Cb 0.00 -3.85 0.00 0.00 -1.31 0.00 0.00 43.02 37.86 1pw2 s PHE 146 CO 0.00 -2.65 0.00 0.41 1.83 0.00 0.00 175.22 174.81 1pw2 n GLY 147 N 1.60 1.44 0.15 13.12 0.00 -1.19 -4.88 105.19 115.43 1pw2 n GLY 147 Ca 0.04 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.98 1pw2 n GLY 147 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1pw2 h LEU 148 N 0.00 0.32 -0.99 0.99 4.07 -1.80 -3.23 115.31 114.67 1pw2 h LEU 148 Ca 0.00 -0.23 0.10 0.00 0.08 0.00 0.00 57.88 57.83 1pw2 h LEU 148 Cb 0.00 -0.10 -0.08 0.00 1.08 0.00 0.00 40.66 41.57 1pw2 h LEU 148 CO 0.00 0.99 0.63 0.00 -1.08 0.00 0.00 178.44 178.98 1pw2 h ALA 149 N 0.99 1.46 -0.02 1.53 0.00 -1.75 0.56 119.26 122.04 1pw2 h ALA 149 Ca -0.04 0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.74 1pw2 h ALA 149 Cb 1.39 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.93 1pw2 h ALA 149 CO 0.13 0.28 -0.65 -0.09 0.00 0.00 0.00 179.25 178.92 1pw2 h ARG 150 N 1.04 0.08 -0.04 0.00 2.43 -1.85 -2.70 114.38 113.35 1pw2 h ARG 150 Ca 0.47 -0.06 -0.25 0.00 -0.81 0.00 0.00 59.98 59.33 1pw2 h ARG 150 Cb 0.38 0.01 0.01 0.00 -0.42 0.00 0.00 29.97 29.96 1pw2 h ARG 150 CO -0.24 0.71 -0.95 0.00 -1.51 0.00 0.00 179.97 177.98 1pw2 h ALA 151 N 1.28 0.24 -3.12 2.80 0.00 -1.14 -3.42 119.26 115.89 1pw2 h ALA 151 Ca -0.01 -0.67 -0.52 0.00 0.00 0.00 0.00 54.91 53.71 1pw2 h ALA 151 Cb 1.16 0.02 -0.40 0.00 0.00 0.00 0.00 17.79 18.57 1pw2 h ALA 151 CO 0.09 0.71 -0.76 -0.06 0.00 0.00 0.00 179.25 179.23 1pw2 s PHE 152 N -3.42 0.81 0.36 0.00 0.08 0.18 -4.69 117.98 111.30 1pw2 s PHE 152 Ca -0.09 -0.86 -0.24 0.00 0.12 0.00 0.00 56.93 55.86 1pw2 s PHE 152 Cb 0.08 -1.03 -0.14 0.00 -0.57 0.00 0.00 43.02 41.36 1pw2 s PHE 152 CO 0.90 -0.66 0.52 0.41 -0.10 0.00 0.00 175.22 176.29 1pw2 n GLY 153 N 5.11 -1.60 3.61 4.36 0.00 -1.03 -4.14 105.19 111.50 1pw2 n GLY 153 Ca -0.07 0.13 -0.43 0.00 0.00 0.00 0.00 46.02 45.65 1pw2 n GLY 153 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pw2 s VAL 154 N -1.37 3.96 0.80 1.61 0.11 -1.26 -5.00 120.40 119.25 1pw2 s VAL 154 Ca 0.62 1.01 -0.11 0.00 -2.93 0.00 0.00 61.98 60.56 1pw2 s VAL 154 Cb -0.68 -4.18 0.07 0.00 -1.53 0.00 0.00 36.38 30.06 1pw2 s VAL 154 CO 0.59 -0.68 1.10 -2.16 -3.33 0.00 0.00 175.10 170.62 1pw2 s PRO 155 N 4.74 2.05 0.07 1.54 0.04 -1.26 -4.99 135.00 137.19 1pw2 s PRO 155 Ca 0.60 0.63 -0.17 0.00 0.04 0.00 0.00 61.00 62.10 1pw2 s PRO 155 Cb -0.15 -1.91 -0.12 0.00 0.04 0.00 0.00 34.50 32.36 1pw2 s PRO 155 CO 0.30 -1.64 1.35 0.28 0.04 0.00 0.00 177.00 177.33 1pw2 h VAL 156 N -1.11 1.33 -3.35 -0.36 2.07 -1.95 -3.43 116.25 109.47 1pw2 h VAL 156 Ca -0.47 -1.52 -0.53 0.00 0.82 0.00 0.00 66.70 65.00 1pw2 h VAL 156 Cb 1.27 1.82 -0.18 0.00 -1.52 0.00 0.00 31.29 32.68 1pw2 h VAL 156 CO 0.59 0.47 -0.79 -0.13 0.02 0.00 0.00 177.57 177.74 1pw2 s ARG 157 N -4.16 1.27 0.83 1.57 3.00 -1.26 -0.52 118.95 119.68 1pw2 s ARG 157 Ca -0.13 -1.39 -0.09 0.00 0.00 0.00 0.00 55.73 54.12 1pw2 s ARG 157 Cb 0.07 -1.35 0.14 0.00 0.00 0.00 0.00 34.95 33.81 1pw2 s ARG 157 CO 0.81 0.28 1.15 0.95 0.00 0.00 0.00 175.30 178.49 1pw2 s THR 158 N -1.96 2.10 0.65 0.02 -4.23 0.05 -4.86 115.64 107.40 1pw2 s THR 158 Ca 0.15 -0.24 0.41 0.00 -1.18 0.00 0.00 61.69 60.83 1pw2 s THR 158 Cb -0.06 -2.86 0.42 0.00 1.34 0.00 0.00 72.50 71.34 1pw2 s THR 158 CO 0.06 0.00 2.32 0.10 -0.54 0.00 0.00 174.62 176.57 1pw2 h TYR 159 N -1.05 0.00 -0.38 3.99 -0.00 -1.83 0.23 116.97 117.93 1pw2 h TYR 159 Ca -0.42 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.31 1pw2 h TYR 159 Cb 1.27 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 38.00 1pw2 h TYR 159 CO -0.47 0.00 0.00 0.25 -0.00 0.00 0.00 178.16 177.94 1pw2 n THR 160 N -3.22 0.49 -0.97 -0.90 -2.24 -1.26 -4.92 114.28 101.27 1pw2 n THR 160 Ca -0.03 -0.61 0.00 0.00 -2.27 0.00 0.00 64.05 61.14 1pw2 n THR 160 Cb 0.10 0.56 0.00 0.00 -2.10 0.00 0.00 70.33 68.89 1pw2 n THR 160 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1pw2 n HIS 161 N 0.98 0.00 -2.09 4.78 8.25 0.82 -5.00 115.22 122.95 1pw2 n HIS 161 Ca 0.18 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.24 1pw2 n HIS 161 Cb 0.46 -0.27 -0.01 0.00 1.12 0.00 0.00 29.99 31.30 1pw2 n HIS 161 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1pw2 s GLU 162 N -0.24 4.07 -0.11 -0.41 2.02 -1.26 -4.64 118.70 118.13 1pw2 s GLU 162 Ca 0.00 2.14 -0.30 0.00 0.02 0.00 0.00 54.97 56.83 1pw2 s GLU 162 Cb 0.00 -2.82 -0.02 0.00 0.10 0.00 0.00 34.13 31.39 1pw2 s GLU 162 CO 0.00 -0.40 1.11 0.08 0.02 0.00 0.00 175.26 176.06 1pw2 s VAL 163 N -1.25 4.52 0.11 2.63 1.01 -1.26 -0.77 120.40 125.39 1pw2 s VAL 163 Ca 0.55 1.82 -0.31 0.00 0.00 0.00 0.00 61.98 64.04 1pw2 s VAL 163 Cb -0.38 -4.17 -0.07 0.00 0.00 0.00 0.00 36.38 31.76 1pw2 s VAL 163 CO 0.49 -0.03 1.32 -0.69 0.00 0.00 0.00 175.10 176.18 1pw2 s VAL 164 N 2.38 3.51 0.39 2.92 1.01 0.33 -4.93 120.40 126.00 1pw2 s VAL 164 Ca 0.51 1.11 -0.27 0.00 0.00 0.00 0.00 61.98 63.33 1pw2 s VAL 164 Cb -0.21 -3.71 -0.09 0.00 0.00 0.00 0.00 36.38 32.37 1pw2 s VAL 164 CO 0.18 0.10 1.34 0.28 0.00 0.00 0.00 175.10 177.00 1pw2 s THR 165 N 0.92 2.51 -1.14 3.92 -1.32 -1.26 -4.93 115.64 114.35 1pw2 s THR 165 Ca 0.61 0.48 0.17 0.00 -1.21 0.00 0.00 61.69 61.74 1pw2 s THR 165 Cb -0.35 -3.29 -0.11 0.00 -1.51 0.00 0.00 72.50 67.25 1pw2 s THR 165 CO 0.31 0.09 0.80 0.18 -2.21 0.00 0.00 174.62 173.78 1pw2 n LEU 166 N 0.29 1.18 -0.28 9.08 4.32 -1.26 -4.66 117.00 125.66 1pw2 n LEU 166 Ca 0.03 -0.61 0.31 0.00 -0.02 0.00 0.00 56.01 55.72 1pw2 n LEU 166 Cb 0.42 0.00 0.69 0.00 -1.62 0.00 0.00 43.42 42.92 1pw2 n LEU 166 CO 0.58 0.25 1.29 -0.50 -1.22 0.00 0.00 177.39 177.79 1pw2 h TRP 167 N 0.80 0.14 -0.46 -1.77 4.06 -1.80 -0.96 115.95 115.95 1pw2 h TRP 167 Ca 0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 1pw2 h TRP 167 Cb 0.48 -0.04 0.00 0.00 -1.00 0.00 0.00 29.16 28.60 1pw2 h TRP 167 CO 0.00 0.01 0.00 0.66 -3.56 0.00 0.00 178.44 175.55 1pw2 n TYR 168 N -4.30 0.69 -2.60 0.49 4.01 -1.26 -4.57 117.16 109.61 1pw2 n TYR 168 Ca 0.24 -0.53 -0.42 0.00 -0.16 0.00 0.00 57.90 57.03 1pw2 n TYR 168 Cb 1.09 -0.05 -0.03 0.00 -0.31 0.00 0.00 39.34 40.04 1pw2 n TYR 168 CO 0.00 0.00 0.00 0.50 -0.46 0.00 0.00 176.86 176.90 1pw2 s ARG 169 N -1.15 4.47 0.59 -0.72 3.52 -0.37 -3.89 118.95 121.40 1pw2 s ARG 169 Ca 0.33 1.53 -0.20 0.00 -0.13 0.00 0.00 55.73 57.26 1pw2 s ARG 169 Cb 0.18 -3.47 -0.03 0.00 -1.56 0.00 0.00 34.95 30.07 1pw2 s ARG 169 CO 0.21 -0.21 1.26 0.00 -0.81 0.00 0.00 175.30 175.75 1pw2 s ALA 170 N 1.43 2.59 0.32 6.12 0.00 -1.26 -4.88 121.76 126.08 1pw2 s ALA 170 Ca 0.53 1.14 0.00 0.00 0.00 0.00 0.00 51.96 53.63 1pw2 s ALA 170 Cb -0.23 -3.50 0.54 0.00 0.00 0.00 0.00 23.12 19.93 1pw2 s ALA 170 CO 0.25 -1.30 1.99 -1.00 0.00 0.00 0.00 175.76 175.70 1pw2 h PRO 171 N 1.00 0.97 0.00 0.00 0.13 -1.95 -1.98 132.00 130.17 1pw2 h PRO 171 Ca -0.51 -0.06 -0.01 0.00 -0.87 0.00 0.00 66.00 64.56 1pw2 h PRO 171 Cb 1.31 -0.22 -0.00 0.00 0.13 0.00 0.00 31.00 32.22 1pw2 h PRO 171 CO 0.55 0.64 -0.04 1.05 -0.23 0.00 0.00 178.00 179.97 1pw2 h GLU 172 N 0.99 0.00 -0.05 0.86 9.09 -1.92 0.12 114.58 123.67 1pw2 h GLU 172 Ca 0.28 0.00 -0.06 0.00 0.05 0.00 0.00 59.36 59.63 1pw2 h GLU 172 Cb -0.09 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.01 1pw2 h GLU 172 CO -0.06 0.04 -0.20 0.82 0.05 0.00 0.00 179.01 179.66 1pw2 h ILE 173 N 0.00 1.45 -0.06 -1.06 2.04 -1.66 -0.20 117.51 118.02 1pw2 h ILE 173 Ca -0.00 -1.63 -0.00 0.00 1.00 0.00 0.00 64.86 64.23 1pw2 h ILE 173 Cb 0.07 2.37 -0.00 0.00 -0.74 0.00 0.00 36.82 38.52 1pw2 h ILE 173 CO 0.01 0.45 0.02 -0.07 0.00 0.00 0.00 178.15 178.56 1pw2 h LEU 174 N -0.31 0.07 -0.97 1.44 4.07 -1.04 -2.00 115.31 116.58 1pw2 h LEU 174 Ca -0.01 -0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.95 1pw2 h LEU 174 Cb 0.84 -0.02 0.00 0.00 1.08 0.00 0.00 40.66 42.56 1pw2 h LEU 174 CO 0.04 0.08 0.00 0.18 -1.08 0.00 0.00 178.44 177.66 1pw2 n LEU 175 N -4.50 1.43 0.00 1.67 4.77 0.32 -4.85 117.00 115.83 1pw2 n LEU 175 Ca -0.02 -0.69 0.00 0.00 -0.03 0.00 0.00 56.01 55.27 1pw2 n LEU 175 Cb 0.11 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.04 1pw2 n LEU 175 CO 0.35 0.34 0.00 0.61 -1.33 0.00 0.00 177.39 177.36 1pw2 n GLY 176 N 0.97 0.74 3.67 -0.72 0.00 -0.75 -0.75 105.19 108.35 1pw2 n GLY 176 Ca 0.11 -0.20 -0.42 0.00 0.00 0.00 0.00 46.02 45.51 1pw2 n GLY 176 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pw2 h LYS 178 N 9.07 0.00 -5.07 0.00 2.10 -1.95 -3.44 116.57 117.29 1pw2 h LYS 178 Ca -0.41 0.00 -0.66 0.00 -2.00 0.00 0.00 60.65 57.57 1pw2 h LYS 178 Cb 1.19 0.00 -0.30 0.00 -0.90 0.00 0.00 32.23 32.22 1pw2 h LYS 178 CO 0.94 0.00 -0.77 0.71 -2.00 0.00 0.00 179.45 178.33 1pw2 s TYR 179 N -3.17 2.88 0.03 0.07 2.02 -1.26 -5.11 117.35 112.81 1pw2 s TYR 179 Ca 0.09 -1.12 -0.09 0.00 -0.37 0.00 0.00 57.07 55.58 1pw2 s TYR 179 Cb 0.09 -2.01 -0.05 0.00 -0.40 0.00 0.00 41.96 39.59 1pw2 s TYR 179 CO 0.62 -0.58 0.32 0.71 -1.57 0.00 0.00 175.55 175.06 1pw2 s TYR 180 N 1.25 3.60 0.39 2.71 2.02 -1.26 -5.05 117.35 121.00 1pw2 s TYR 180 Ca 0.03 0.69 0.08 0.00 -0.37 0.00 0.00 57.07 57.50 1pw2 s TYR 180 Cb -0.14 -2.08 -0.05 0.00 -0.40 0.00 0.00 41.96 39.29 1pw2 s TYR 180 CO -0.05 0.59 0.14 -1.54 -1.57 0.00 0.00 175.55 173.12 1pw2 s SER 181 N -1.63 4.38 0.40 2.29 1.04 -1.26 -4.99 113.70 113.94 1pw2 s SER 181 Ca 0.29 -1.04 0.25 0.00 0.48 0.00 0.00 55.95 55.92 1pw2 s SER 181 Cb -0.14 -0.51 1.36 0.00 0.10 0.00 0.00 66.02 66.83 1pw2 s SER 181 CO 0.16 -0.46 1.75 0.71 0.98 0.00 0.00 173.24 176.39 1pw2 h THR 182 N 1.53 0.00 0.00 2.02 1.35 -1.97 -2.12 112.91 113.71 1pw2 h THR 182 Ca -0.43 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 65.42 1pw2 h THR 182 Cb 1.25 0.56 -0.00 0.00 -1.73 0.00 0.00 68.15 68.23 1pw2 h THR 182 CO 0.69 0.00 -0.07 0.00 -0.25 0.00 0.00 175.52 175.90 1pw2 h ALA 183 N 1.85 1.51 -0.39 6.62 0.00 -1.94 -2.18 119.26 124.73 1pw2 h ALA 183 Ca 0.00 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 1pw2 h ALA 183 Cb 0.12 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1pw2 h ALA 183 CO 0.00 0.08 0.13 -0.39 0.00 0.00 0.00 179.25 179.07 1pw2 h VAL 184 N 0.00 1.16 -0.17 0.00 -1.51 -1.77 -1.87 116.25 112.08 1pw2 h VAL 184 Ca -0.00 -0.53 -0.14 0.00 -1.23 0.00 0.00 66.70 64.80 1pw2 h VAL 184 Cb 0.16 0.73 -0.01 0.00 -2.13 0.00 0.00 31.29 30.03 1pw2 h VAL 184 CO 0.01 0.20 -0.49 0.44 -1.23 0.00 0.00 177.57 176.50 1pw2 h ASP 185 N 0.55 0.50 -0.41 4.19 3.32 -1.61 -2.33 116.42 120.63 1pw2 h ASP 185 Ca 0.13 -0.24 -0.09 0.00 0.02 0.00 0.00 57.03 56.85 1pw2 h ASP 185 Cb 0.15 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.55 1pw2 h ASP 185 CO -0.01 0.90 -0.11 0.40 -1.72 0.00 0.00 179.24 178.71 1pw2 h ILE 186 N 0.36 1.28 0.15 0.35 1.08 -1.47 -1.25 117.51 118.01 1pw2 h ILE 186 Ca 0.02 -1.21 0.01 0.00 -0.39 0.00 0.00 64.86 63.30 1pw2 h ILE 186 Cb 0.99 1.21 -0.03 0.00 -3.07 0.00 0.00 36.82 35.92 1pw2 h ILE 186 CO 0.09 0.41 -0.27 -0.25 -0.69 0.00 0.00 178.15 177.44 1pw2 h TRP 187 N 0.61 -0.71 -0.53 1.37 2.91 -1.23 0.16 115.95 118.53 1pw2 h TRP 187 Ca 0.10 0.01 0.09 0.00 1.13 0.00 0.00 58.89 60.22 1pw2 h TRP 187 Cb 0.64 0.30 -0.07 0.00 -0.51 0.00 0.00 29.16 29.51 1pw2 h TRP 187 CO 0.05 -0.37 0.14 0.77 -1.03 0.00 0.00 178.44 178.00 1pw2 h SER 188 N -0.49 0.07 0.00 2.65 0.02 -1.30 -0.12 113.55 114.39 1pw2 h SER 188 Ca 0.02 0.09 -0.05 0.00 -0.84 0.00 0.00 61.79 61.01 1pw2 h SER 188 Cb 0.51 0.10 -0.01 0.00 0.14 0.00 0.00 62.40 63.14 1pw2 h SER 188 CO -0.13 0.06 -0.12 0.25 -1.14 0.00 0.00 176.83 175.74 1pw2 h LEU 189 N 0.29 0.24 -0.52 5.07 5.85 -0.80 -1.25 115.31 124.19 1pw2 h LEU 189 Ca 0.27 -0.05 -0.07 0.00 0.84 0.00 0.00 57.88 58.87 1pw2 h LEU 189 Cb 0.35 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.29 1pw2 h LEU 189 CO -0.32 0.39 0.05 1.23 -0.34 0.00 0.00 178.44 179.45 1pw2 h GLY 190 N 0.75 0.96 1.23 3.75 0.00 0.11 0.62 103.07 110.48 1pw2 h GLY 190 Ca 0.05 -0.67 -0.04 0.00 0.00 0.00 0.00 47.33 46.67 1pw2 h GLY 190 CO 0.02 0.62 0.25 0.00 0.00 0.00 0.00 176.54 177.43 1pw2 h ILE 192 N 0.95 1.29 -0.12 0.00 2.04 -0.90 -1.98 117.51 118.80 1pw2 h ILE 192 Ca 0.22 -1.62 0.00 0.00 1.00 0.00 0.00 64.86 64.47 1pw2 h ILE 192 Cb 0.20 1.53 -0.01 0.00 -0.74 0.00 0.00 36.82 37.81 1pw2 h ILE 192 CO -0.02 0.52 0.08 0.15 0.00 0.00 0.00 178.15 178.88 1pw2 h PHE 193 N 0.58 0.16 -0.86 1.37 3.57 -0.50 -1.14 116.94 120.12 1pw2 h PHE 193 Ca 0.04 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.53 1pw2 h PHE 193 Cb 0.98 -0.05 -0.04 0.00 2.79 0.00 0.00 35.95 39.63 1pw2 h PHE 193 CO 0.05 0.13 0.48 0.00 -2.23 0.00 0.00 178.31 176.74 1pw2 h ALA 194 N 1.02 1.10 -0.71 2.41 0.00 -1.20 -2.62 119.26 119.26 1pw2 h ALA 194 Ca 0.04 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.76 1pw2 h ALA 194 Cb 0.01 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.43 1pw2 h ALA 194 CO -0.01 0.60 0.17 1.49 0.00 0.00 0.00 179.25 181.50 1pw2 h GLU 195 N 1.19 1.15 -0.59 0.00 4.81 -1.00 -1.49 114.58 118.65 1pw2 h GLU 195 Ca 0.30 -0.28 -0.06 0.00 -0.13 0.00 0.00 59.36 59.20 1pw2 h GLU 195 Cb 0.01 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 29.22 1pw2 h GLU 195 CO -0.05 1.01 0.14 0.52 -0.73 0.00 0.00 179.01 179.90 1pw2 h MET 196 N 1.08 0.92 -0.13 1.92 2.86 -0.95 0.19 114.93 120.82 1pw2 h MET 196 Ca 0.22 -0.20 -0.07 0.00 -2.06 0.00 0.00 59.70 57.59 1pw2 h MET 196 Cb 0.38 -0.13 -0.00 0.00 0.06 0.00 0.00 31.60 31.91 1pw2 h MET 196 CO 0.00 0.83 -0.19 0.28 1.06 0.00 0.00 176.91 178.89 1pw2 h VAL 197 N 0.88 1.36 0.00 -2.22 2.07 -1.17 -3.33 116.25 113.84 1pw2 h VAL 197 Ca 0.19 -1.41 0.00 0.00 0.82 0.00 0.00 66.70 66.30 1pw2 h VAL 197 Cb 0.33 1.98 0.00 0.00 -1.52 0.00 0.00 31.29 32.08 1pw2 h VAL 197 CO 0.00 0.41 -0.82 0.35 0.02 0.00 0.00 177.57 177.53 1pw2 n THR 198 N -4.52 0.27 -1.77 2.57 -2.24 -0.59 -4.81 114.28 103.20 1pw2 n THR 198 Ca -0.07 -0.26 -0.11 0.00 -2.27 0.00 0.00 64.05 61.34 1pw2 n THR 198 Cb 0.40 0.03 -0.03 0.00 -2.10 0.00 0.00 70.33 68.63 1pw2 n THR 198 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1pw2 n ARG 199 N -2.05 -0.82 -3.75 -0.78 1.74 0.66 -5.00 116.66 106.66 1pw2 n ARG 199 Ca 0.03 0.70 -0.13 0.00 -0.77 0.00 0.00 57.85 57.68 1pw2 n ARG 199 Cb 0.44 -4.74 -0.11 0.00 -1.02 0.00 0.00 32.46 27.03 1pw2 n ARG 199 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 1pw2 s ARG 200 N -3.74 0.36 0.36 5.56 3.52 -1.20 -5.05 118.95 118.75 1pw2 s ARG 200 Ca 0.00 0.49 -0.28 0.00 -0.13 0.00 0.00 55.73 55.81 1pw2 s ARG 200 Cb 0.00 0.14 -0.12 0.00 -1.56 0.00 0.00 34.95 33.41 1pw2 s ARG 200 CO 0.00 -0.07 1.36 0.00 -0.81 0.00 0.00 175.30 175.78 1pw2 n ALA 201 N 3.15 1.69 0.07 6.12 0.00 -1.26 -4.24 120.51 126.04 1pw2 n ALA 201 Ca -0.15 0.35 -0.12 0.00 0.00 0.00 0.00 53.44 53.51 1pw2 n ALA 201 Cb 0.57 -2.31 -0.08 0.00 0.00 0.00 0.00 19.45 17.62 1pw2 n ALA 201 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1pw2 h LEU 202 N 2.67 -0.18 -6.69 0.00 6.46 -1.92 -3.40 115.31 112.24 1pw2 h LEU 202 Ca -0.48 -0.33 -0.60 0.00 -0.12 0.00 0.00 57.88 56.35 1pw2 h LEU 202 Cb 1.27 0.05 -0.40 0.00 -0.73 0.00 0.00 40.66 40.84 1pw2 h LEU 202 CO 0.63 0.27 -0.77 0.49 -0.62 0.00 0.00 178.44 178.44 1pw2 n PHE 203 N -4.98 1.24 -1.58 1.25 3.72 -1.26 -5.03 117.46 110.82 1pw2 n PHE 203 Ca -0.09 -3.82 -0.41 0.00 -0.05 0.00 0.00 57.45 53.08 1pw2 n PHE 203 Cb 0.25 -0.20 -0.01 0.00 -0.94 0.00 0.00 39.48 38.58 1pw2 n PHE 203 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 1pw2 n PRO 204 N 2.31 3.27 -2.28 -1.08 -0.04 -1.26 -4.30 135.00 131.62 1pw2 n PRO 204 Ca 0.25 -2.49 -0.36 0.00 -0.04 0.00 0.00 63.50 60.86 1pw2 n PRO 204 Cb 0.42 -3.06 -0.01 0.00 -0.04 0.00 0.00 33.50 30.81 1pw2 n PRO 204 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1pw2 s GLY 205 N 2.63 2.70 -0.12 0.55 0.00 -1.26 -4.96 107.32 106.86 1pw2 s GLY 205 Ca 0.56 0.86 0.17 0.00 0.00 0.00 0.00 44.72 46.31 1pw2 s GLY 205 CO -0.07 1.27 1.19 2.09 0.00 0.00 0.00 173.10 177.57 1pw2 n ASP 206 N -0.87 2.61 -3.56 1.64 5.75 -1.26 -4.56 116.55 116.29 1pw2 n ASP 206 Ca 0.09 -2.96 -0.06 0.00 -0.01 0.00 0.00 54.79 51.85 1pw2 n ASP 206 Cb 0.50 -0.41 -0.02 0.00 -1.03 0.00 0.00 41.12 40.15 1pw2 n ASP 206 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 1pw2 s SER 207 N -2.51 -0.23 0.21 -1.12 1.04 -1.26 -4.99 113.70 104.84 1pw2 s SER 207 Ca 0.31 0.04 -0.09 0.00 0.48 0.00 0.00 55.95 56.69 1pw2 s SER 207 Cb 0.26 0.23 0.20 0.00 0.10 0.00 0.00 66.02 66.82 1pw2 s SER 207 CO 0.04 -0.36 1.86 -0.33 0.98 0.00 0.00 173.24 175.43 1pw2 h GLU 208 N 2.06 0.89 -0.12 4.02 5.08 -1.99 0.22 114.58 124.74 1pw2 h GLU 208 Ca -0.14 -0.05 -0.16 0.00 -1.00 0.00 0.00 59.36 58.01 1pw2 h GLU 208 Cb 1.19 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 30.23 1pw2 h GLU 208 CO 0.26 0.59 -0.60 0.97 -1.00 0.00 0.00 179.01 179.23 1pw2 h ILE 209 N 0.92 1.36 -0.43 3.13 6.09 -1.97 -0.68 117.51 125.93 1pw2 h ILE 209 Ca 0.29 -1.93 -0.11 0.00 -1.37 0.00 0.00 64.86 61.75 1pw2 h ILE 209 Cb 0.00 1.92 -0.02 0.00 0.47 0.00 0.00 36.82 39.20 1pw2 h ILE 209 CO -0.10 0.58 -0.18 -0.78 -3.07 0.00 0.00 178.15 174.60 1pw2 h ASP 210 N 0.29 0.83 -0.12 2.19 3.58 -1.80 0.33 116.42 121.73 1pw2 h ASP 210 Ca -0.00 -0.29 -0.01 0.00 0.42 0.00 0.00 57.03 57.15 1pw2 h ASP 210 Cb 1.13 -0.23 -0.00 0.00 1.72 0.00 0.00 39.33 41.95 1pw2 h ASP 210 CO 0.10 1.00 0.02 -0.61 -2.88 0.00 0.00 179.24 176.88 1pw2 h GLN 211 N 0.73 0.20 -0.46 0.28 5.75 -0.38 -1.15 115.11 120.07 1pw2 h GLN 211 Ca 0.11 -0.05 0.00 0.00 -0.15 0.00 0.00 58.65 58.56 1pw2 h GLN 211 Cb 0.70 -0.02 -0.02 0.00 1.07 0.00 0.00 27.48 29.20 1pw2 h GLN 211 CO 0.05 0.39 0.29 1.25 -2.65 0.00 0.00 178.83 178.16 1pw2 h LEU 212 N -0.03 0.55 -1.32 -2.39 5.85 -0.94 -2.17 115.31 114.86 1pw2 h LEU 212 Ca 0.04 -0.04 -0.06 0.00 0.84 0.00 0.00 57.88 58.66 1pw2 h LEU 212 Cb 0.29 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 1pw2 h LEU 212 CO 0.00 0.43 -0.27 -0.26 -0.34 0.00 0.00 178.44 178.00 1pw2 h PHE 213 N 0.62 0.00 -0.13 1.25 -1.00 -0.84 -0.52 116.94 116.32 1pw2 h PHE 213 Ca 0.17 0.00 -0.16 0.00 2.81 0.00 0.00 57.97 60.79 1pw2 h PHE 213 Cb -0.03 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.52 1pw2 h PHE 213 CO -0.03 0.27 -0.60 0.00 -1.61 0.00 0.00 178.31 176.33 1pw2 h ARG 214 N 0.00 0.44 -0.24 1.51 3.08 -0.78 -0.72 114.38 117.67 1pw2 h ARG 214 Ca -0.00 -0.30 -0.07 0.00 0.07 0.00 0.00 59.98 59.68 1pw2 h ARG 214 Cb 0.66 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.75 1pw2 h ARG 214 CO 0.03 0.91 -0.12 0.82 -1.07 0.00 0.00 179.97 180.55 1pw2 h ILE 215 N 0.33 1.30 -0.74 2.04 2.04 -0.85 -3.04 117.51 118.59 1pw2 h ILE 215 Ca -0.01 -1.20 0.01 0.00 1.00 0.00 0.00 64.86 64.67 1pw2 h ILE 215 Cb 1.14 1.57 -0.04 0.00 -0.74 0.00 0.00 36.82 38.76 1pw2 h ILE 215 CO 0.11 0.37 0.49 -0.26 0.00 0.00 0.00 178.15 178.85 1pw2 h PHE 216 N 0.22 0.92 0.00 1.37 -1.00 -0.93 0.31 116.94 117.83 1pw2 h PHE 216 Ca 0.05 0.02 -0.03 0.00 2.81 0.00 0.00 57.97 60.83 1pw2 h PHE 216 Cb 0.62 -0.31 -0.00 0.00 3.61 0.00 0.00 35.95 39.87 1pw2 h PHE 216 CO 0.06 0.57 -0.13 0.00 -1.61 0.00 0.00 178.31 177.20 1pw2 h ARG 217 N 0.99 0.00 0.00 1.51 3.08 -1.12 0.48 114.38 119.33 1pw2 h ARG 217 Ca 0.27 0.00 -0.24 0.00 0.07 0.00 0.00 59.98 60.08 1pw2 h ARG 217 Cb -0.10 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 29.92 1pw2 h ARG 217 CO -0.07 0.13 -1.52 2.41 -1.07 0.00 0.00 179.97 179.86 1pw2 n THR 218 N -3.47 1.51 1.36 2.04 -1.04 -0.96 -4.48 114.28 109.23 1pw2 n THR 218 Ca -0.01 -0.08 0.13 0.00 -2.04 0.00 0.00 64.05 62.05 1pw2 n THR 218 Cb 0.29 -2.08 0.42 0.00 -1.82 0.00 0.00 70.33 67.15 1pw2 n THR 218 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1pw2 n LEU 219 N -4.41 1.45 0.00 -4.42 4.32 0.06 -0.44 117.00 113.56 1pw2 n LEU 219 Ca -0.33 -0.46 0.00 0.00 -0.02 0.00 0.00 56.01 55.20 1pw2 n LEU 219 Cb 0.66 -0.04 0.00 0.00 -1.62 0.00 0.00 43.42 42.42 1pw2 n LEU 219 CO 0.13 0.25 0.00 0.61 -1.22 0.00 0.00 177.39 177.16 1pw2 n GLY 220 N 1.25 -1.33 3.69 -0.72 0.00 0.17 -4.44 105.19 103.80 1pw2 n GLY 220 Ca 0.16 -1.36 -0.42 0.00 0.00 0.00 0.00 46.02 44.40 1pw2 n GLY 220 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1pw2 s THR 221 N -2.51 2.82 0.44 2.61 2.01 -0.53 -4.61 115.64 115.87 1pw2 s THR 221 Ca 0.00 0.26 -0.24 0.00 0.31 0.00 0.00 61.69 62.01 1pw2 s THR 221 Cb 0.00 -3.17 -0.08 0.00 0.01 0.00 0.00 72.50 69.27 1pw2 s THR 221 CO 0.00 -0.00 1.21 -2.16 -0.69 0.00 0.00 174.62 172.98 1pw2 s PRO 222 N 2.88 3.85 0.38 4.92 0.04 -1.26 -4.86 135.00 140.94 1pw2 s PRO 222 Ca 0.78 1.91 0.06 0.00 0.04 0.00 0.00 61.00 63.79 1pw2 s PRO 222 Cb -0.43 -2.55 -0.02 0.00 0.04 0.00 0.00 34.50 31.54 1pw2 s PRO 222 CO 0.35 -0.52 0.21 0.16 0.04 0.00 0.00 177.00 177.24 1pw2 s ASP 223 N -1.13 2.30 0.65 6.66 1.47 -1.26 -4.97 116.67 120.39 1pw2 s ASP 223 Ca 0.61 -1.74 0.44 0.00 1.18 0.00 0.00 52.55 53.03 1pw2 s ASP 223 Cb -0.32 0.57 2.35 0.00 -0.34 0.00 0.00 42.92 45.18 1pw2 s ASP 223 CO 0.40 -1.02 2.33 -0.33 0.68 0.00 0.00 175.17 177.23 1pw2 h GLU 224 N 1.93 0.00 0.22 2.11 4.39 -1.97 0.43 114.58 121.69 1pw2 h GLU 224 Ca -0.30 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.39 1pw2 h GLU 224 Cb 1.25 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.91 1pw2 h GLU 224 CO 0.46 0.00 -0.11 0.28 -1.16 0.00 0.00 179.01 178.48 1pw2 h VAL 225 N 0.00 0.56 0.00 3.13 2.07 -1.99 -3.11 116.25 116.91 1pw2 h VAL 225 Ca 0.00 -0.98 -0.01 0.00 0.82 0.00 0.00 66.70 66.52 1pw2 h VAL 225 Cb 0.02 0.95 -0.00 0.00 -1.52 0.00 0.00 31.29 30.74 1pw2 h VAL 225 CO 0.00 0.15 -0.20 -0.37 0.02 0.00 0.00 177.57 177.17 1pw2 h VAL 226 N -0.95 0.10 -2.29 2.57 -1.51 -1.94 -3.41 116.25 108.82 1pw2 h VAL 226 Ca -0.03 -1.14 -0.54 0.00 -1.23 0.00 0.00 66.70 63.75 1pw2 h VAL 226 Cb 0.47 1.98 -0.36 0.00 -2.13 0.00 0.00 31.29 31.25 1pw2 h VAL 226 CO 0.05 0.06 -0.90 0.86 -1.23 0.00 0.00 177.57 176.40 1pw2 s TRP 227 N -3.20 0.74 0.08 5.19 -0.11 0.13 -4.13 118.94 117.63 1pw2 s TRP 227 Ca 0.06 -1.98 -0.34 0.00 1.22 0.00 0.00 56.10 55.06 1pw2 s TRP 227 Cb 0.06 -0.79 -0.13 0.00 -1.50 0.00 0.00 33.47 31.10 1pw2 s TRP 227 CO 0.69 -0.87 1.69 -2.30 -4.62 0.00 0.00 176.95 171.54 1pw2 n PRO 228 N 3.17 2.18 -0.33 5.86 -0.02 -1.17 -1.59 135.00 143.09 1pw2 n PRO 228 Ca 0.25 0.79 0.00 0.00 -2.02 0.00 0.00 63.50 62.52 1pw2 n PRO 228 Cb 0.46 -2.59 0.00 0.00 -0.02 0.00 0.00 33.50 31.35 1pw2 n PRO 228 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1pw2 n GLY 229 N 3.77 0.90 0.33 -1.23 0.00 -1.26 -4.95 105.19 102.75 1pw2 n GLY 229 Ca 0.19 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.17 1pw2 n GLY 229 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1pw2 h VAL 230 N 0.00 1.24 0.00 1.61 3.04 -1.62 -2.56 116.25 117.96 1pw2 h VAL 230 Ca 0.00 -0.78 0.00 0.00 -1.01 0.00 0.00 66.70 64.91 1pw2 h VAL 230 Cb 0.00 0.43 0.00 0.00 -2.01 0.00 0.00 31.29 29.71 1pw2 h VAL 230 CO 0.00 0.31 0.00 0.35 -1.01 0.00 0.00 177.57 177.22 1pw2 n THR 231 N -4.29 0.45 -0.11 3.17 -2.24 -1.26 -2.10 114.28 107.91 1pw2 n THR 231 Ca 0.06 0.11 0.07 0.00 -2.27 0.00 0.00 64.05 62.02 1pw2 n THR 231 Cb 0.19 -0.88 0.16 0.00 -2.10 0.00 0.00 70.33 67.70 1pw2 n THR 231 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1pw2 n SER 232 N -1.21 2.96 -4.80 3.42 7.64 -0.97 -4.91 113.62 115.75 1pw2 n SER 232 Ca 0.08 -1.94 -0.34 0.00 1.01 0.00 0.00 58.87 57.67 1pw2 n SER 232 Cb 0.10 -0.24 -0.05 0.00 -1.01 0.00 0.00 64.21 63.01 1pw2 n SER 232 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 1pw2 s MET 233 N -1.01 4.08 0.24 1.43 -1.94 -0.89 -4.96 119.30 116.24 1pw2 s MET 233 Ca 0.26 1.28 -0.14 0.00 -1.71 0.00 0.00 55.69 55.38 1pw2 s MET 233 Cb 0.14 -2.24 0.30 0.00 2.01 0.00 0.00 34.83 35.04 1pw2 s MET 233 CO 0.18 -0.18 1.50 -2.30 -0.01 0.00 0.00 175.02 174.21 1pw2 n PRO 234 N -0.61 -0.18 -0.52 2.03 -0.02 -1.21 -1.74 135.00 132.76 1pw2 n PRO 234 Ca 0.07 1.49 0.11 0.00 -2.02 0.00 0.00 63.50 63.15 1pw2 n PRO 234 Cb 0.53 -2.22 0.35 0.00 -0.02 0.00 0.00 33.50 32.13 1pw2 n PRO 234 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1pw2 n ASP 235 N -5.47 4.44 -4.77 2.55 8.00 0.07 -4.95 116.55 116.42 1pw2 n ASP 235 Ca 0.12 -2.25 -0.38 0.00 0.71 0.00 0.00 54.79 52.98 1pw2 n ASP 235 Cb 0.42 -0.55 -0.04 0.00 -0.02 0.00 0.00 41.12 40.93 1pw2 n ASP 235 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 1pw2 s TYR 236 N -1.48 3.38 -0.08 1.24 5.04 -0.71 -4.94 117.35 119.80 1pw2 s TYR 236 Ca 0.51 1.66 -0.00 0.00 -2.44 0.00 0.00 57.07 56.80 1pw2 s TYR 236 Cb 0.30 -3.22 0.02 0.00 0.35 0.00 0.00 41.96 39.41 1pw2 s TYR 236 CO 0.29 -0.66 -0.04 0.15 -1.34 0.00 0.00 175.55 173.94 1pw2 s LYS 237 N -2.03 1.05 0.66 4.97 -0.14 -1.26 -4.93 119.74 118.07 1pw2 s LYS 237 Ca 0.52 -0.10 0.35 0.00 -1.36 0.00 0.00 55.97 55.38 1pw2 s LYS 237 Cb -0.27 -1.19 1.89 0.00 -1.68 0.00 0.00 37.83 36.57 1pw2 s LYS 237 CO 0.34 -0.22 2.08 -1.35 -0.76 0.00 0.00 175.35 175.44 1pw2 h PRO 238 N 7.94 0.00 -0.02 -1.68 0.11 -1.96 0.91 132.00 137.30 1pw2 h PRO 238 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 1pw2 h PRO 238 Cb 1.14 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1pw2 h PRO 238 CO 0.37 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.03 1pw2 n SER 239 N -3.04 0.32 -4.76 -2.05 3.41 -1.26 -4.88 113.62 101.36 1pw2 n SER 239 Ca -0.02 -1.34 -0.41 0.00 -0.26 0.00 0.00 58.87 56.84 1pw2 n SER 239 Cb 0.29 -0.01 -0.01 0.00 -0.26 0.00 0.00 64.21 64.21 1pw2 n SER 239 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 1pw2 s PHE 240 N -1.97 2.71 0.80 7.33 0.08 0.31 -4.93 117.98 122.31 1pw2 s PHE 240 Ca 0.35 0.89 -0.14 0.00 0.12 0.00 0.00 56.93 58.15 1pw2 s PHE 240 Cb 0.17 -4.06 0.08 0.00 -0.57 0.00 0.00 43.02 38.64 1pw2 s PHE 240 CO 0.27 -3.43 1.22 -2.14 -0.10 0.00 0.00 175.22 171.04 1pw2 s PRO 241 N -0.93 1.69 -0.45 0.24 0.02 -1.26 -4.96 135.00 129.34 1pw2 s PRO 241 Ca 0.60 1.80 -0.10 0.00 0.02 0.00 0.00 61.00 63.33 1pw2 s PRO 241 Cb -0.47 -1.78 0.10 0.00 0.02 0.00 0.00 34.50 32.37 1pw2 s PRO 241 CO 0.52 -2.19 0.32 0.15 -0.33 0.00 0.00 177.00 175.48 1pw2 s LYS 242 N -4.06 2.61 0.06 5.54 3.01 -1.26 -4.81 119.74 120.83 1pw2 s LYS 242 Ca 0.74 -1.60 0.01 0.00 -1.01 0.00 0.00 55.97 54.12 1pw2 s LYS 242 Cb -0.30 -3.91 -0.04 0.00 -1.01 0.00 0.00 37.83 32.57 1pw2 s LYS 242 CO 0.50 -1.09 0.13 -1.58 0.51 0.00 0.00 175.35 173.81 1pw2 s TRP 243 N 1.43 3.32 0.15 3.18 0.51 -1.26 -4.94 118.94 121.33 1pw2 s TRP 243 Ca 0.04 0.16 -0.13 0.00 -2.12 0.00 0.00 56.10 54.05 1pw2 s TRP 243 Cb -0.25 -1.69 -0.07 0.00 -0.81 0.00 0.00 33.47 30.65 1pw2 s TRP 243 CO 0.01 0.55 0.53 0.00 -0.51 0.00 0.00 176.95 177.54 1pw2 s ALA 244 N -1.40 3.59 0.43 0.98 0.00 -1.26 -1.46 121.76 122.64 1pw2 s ALA 244 Ca 0.30 -0.18 -0.25 0.00 0.00 0.00 0.00 51.96 51.84 1pw2 s ALA 244 Cb -0.12 -2.48 -0.08 0.00 0.00 0.00 0.00 23.12 20.43 1pw2 s ALA 244 CO 0.23 0.47 1.26 0.50 0.00 0.00 0.00 175.76 178.22 1pw2 s ARG 245 N -2.05 3.85 0.33 0.00 3.52 -1.26 -4.26 118.95 119.07 1pw2 s ARG 245 Ca 0.38 2.04 0.02 0.00 -0.13 0.00 0.00 55.73 58.04 1pw2 s ARG 245 Cb -0.14 -2.62 -0.03 0.00 -1.56 0.00 0.00 34.95 30.60 1pw2 s ARG 245 CO 0.19 -0.56 0.51 -0.65 -0.81 0.00 0.00 175.30 173.98 1pw2 s GLN 246 N -2.41 3.43 0.09 5.12 -1.52 0.41 -4.89 119.66 119.89 1pw2 s GLN 246 Ca 0.60 -0.48 -0.24 0.00 -1.95 0.00 0.00 55.36 53.29 1pw2 s GLN 246 Cb -0.35 -2.72 -0.06 0.00 -0.22 0.00 0.00 33.01 29.66 1pw2 s GLN 246 CO 0.44 0.19 0.75 0.34 -0.25 0.00 0.00 175.29 176.76 1pw2 s ASP 247 N -4.04 7.25 0.56 5.90 -1.08 -1.26 -4.87 116.67 119.13 1pw2 s ASP 247 Ca 0.39 1.49 0.25 0.00 -0.52 0.00 0.00 52.55 54.17 1pw2 s ASP 247 Cb -0.09 -2.47 1.63 0.00 -1.46 0.00 0.00 42.92 40.53 1pw2 s ASP 247 CO 0.34 0.10 2.21 -0.26 0.52 0.00 0.00 175.17 178.09 1pw2 h PHE 248 N 5.14 0.00 -0.12 -5.34 -1.00 -1.98 0.69 116.94 114.33 1pw2 h PHE 248 Ca -0.45 0.00 0.04 0.00 2.81 0.00 0.00 57.97 60.36 1pw2 h PHE 248 Cb 1.21 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.76 1pw2 h PHE 248 CO 0.65 0.01 0.11 0.66 -1.61 0.00 0.00 178.31 178.13 1pw2 h SER 249 N 0.00 0.00 0.60 2.17 4.64 -1.94 -0.25 113.55 118.77 1pw2 h SER 249 Ca -0.00 0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 61.06 1pw2 h SER 249 Cb 0.02 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.07 1pw2 h SER 249 CO 0.00 0.00 -1.55 0.50 -0.87 0.00 0.00 176.83 174.91 1pw2 h LYS 250 N 0.00 0.00 -0.01 4.77 3.64 -1.26 -3.34 116.57 120.36 1pw2 h LYS 250 Ca 0.06 0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 59.31 1pw2 h LYS 250 Cb 0.27 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.10 1pw2 h LYS 250 CO -0.00 0.51 -0.51 0.28 -2.27 0.00 0.00 179.45 177.46 1pw2 h VAL 251 N 0.00 1.45 -1.26 2.00 2.07 -0.78 -3.41 116.25 116.33 1pw2 h VAL 251 Ca -0.23 -2.02 -0.50 0.00 0.82 0.00 0.00 66.70 64.78 1pw2 h VAL 251 Cb 1.90 2.60 -0.41 0.00 -1.52 0.00 0.00 31.29 33.86 1pw2 h VAL 251 CO 0.08 0.58 -0.91 1.33 0.02 0.00 0.00 177.57 178.67 1pw2 n VAL 252 N -4.29 1.86 -2.12 2.57 0.24 -0.32 -5.00 118.33 111.27 1pw2 n VAL 252 Ca -0.10 -4.17 -0.34 0.00 -2.04 0.00 0.00 64.34 57.69 1pw2 n VAL 252 Cb 0.62 -0.49 0.01 0.00 -1.47 0.00 0.00 33.84 32.51 1pw2 n VAL 252 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 1pw2 s PRO 253 N -3.41 3.20 -0.67 7.34 0.04 -1.25 -1.21 135.00 139.04 1pw2 s PRO 253 Ca 0.40 1.54 -0.02 0.00 0.04 0.00 0.00 61.00 62.96 1pw2 s PRO 253 Cb 0.42 -1.99 0.45 0.00 0.04 0.00 0.00 34.50 33.42 1pw2 s PRO 253 CO -0.09 -0.96 2.03 -0.35 0.04 0.00 0.00 177.00 177.68 1pw2 n PRO 254 N -1.62 2.70 -1.99 0.56 -0.04 -1.26 -4.71 135.00 128.64 1pw2 n PRO 254 Ca 0.11 -3.30 -0.42 0.00 -0.04 0.00 0.00 63.50 59.86 1pw2 n PRO 254 Cb 0.51 -2.29 -0.03 0.00 -0.04 0.00 0.00 33.50 31.66 1pw2 n PRO 254 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1pw2 s LEU 255 N -3.83 4.38 1.21 1.53 2.96 -0.35 -4.98 118.68 119.59 1pw2 s LEU 255 Ca 0.65 2.61 -0.19 0.00 -0.22 0.00 0.00 54.13 56.98 1pw2 s LEU 255 Cb 0.51 -3.61 0.29 0.00 0.50 0.00 0.00 46.19 43.88 1pw2 s LEU 255 CO -0.01 -0.76 1.09 1.51 -1.32 0.00 0.00 176.35 176.86 1pw2 s ASP 256 N 0.79 0.82 0.32 3.68 1.47 -1.26 -4.66 116.67 117.84 1pw2 s ASP 256 Ca 0.65 0.69 0.00 0.00 1.18 0.00 0.00 52.55 55.07 1pw2 s ASP 256 Cb -0.42 -0.98 0.54 0.00 -0.34 0.00 0.00 42.92 41.73 1pw2 s ASP 256 CO 0.37 -4.19 1.97 -0.08 0.68 0.00 0.00 175.17 173.92 1pw2 h GLU 257 N -2.63 0.91 -0.30 2.11 4.57 -1.99 -1.17 114.58 116.09 1pw2 h GLU 257 Ca -0.46 -0.07 -0.03 0.00 -1.18 0.00 0.00 59.36 57.62 1pw2 h GLU 257 Cb 1.30 -0.20 -0.01 0.00 -0.16 0.00 0.00 28.75 29.68 1pw2 h GLU 257 CO 0.35 0.63 0.07 -0.44 -1.18 0.00 0.00 179.01 178.44 1pw2 h ASP 258 N 0.93 0.47 -0.33 1.04 3.32 -1.97 -0.23 116.42 119.65 1pw2 h ASP 258 Ca 0.25 -0.24 -0.01 0.00 0.02 0.00 0.00 57.03 57.05 1pw2 h ASP 258 Cb -0.06 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.35 1pw2 h ASP 258 CO -0.05 0.58 0.18 1.23 -1.72 0.00 0.00 179.24 179.46 1pw2 h GLY 259 N 0.33 0.50 1.23 2.75 0.00 -1.81 -1.38 103.07 104.70 1pw2 h GLY 259 Ca 0.09 -0.23 -0.03 0.00 0.00 0.00 0.00 47.33 47.16 1pw2 h GLY 259 CO 0.00 0.22 0.31 3.21 0.00 0.00 0.00 176.54 180.28 1pw2 h ARG 260 N 0.41 0.99 -0.08 4.80 3.08 -1.12 0.66 114.38 123.13 1pw2 h ARG 260 Ca 0.12 -0.14 -0.00 0.00 0.07 0.00 0.00 59.98 60.02 1pw2 h ARG 260 Cb 0.07 -0.18 -0.00 0.00 0.08 0.00 0.00 29.97 29.94 1pw2 h ARG 260 CO -0.02 0.78 0.03 1.03 -1.07 0.00 0.00 179.97 180.72 1pw2 h SER 261 N 0.98 0.10 -0.50 7.04 0.87 -0.72 -0.94 113.55 120.38 1pw2 h SER 261 Ca 0.24 -0.14 -0.05 0.00 -1.23 0.00 0.00 61.79 60.61 1pw2 h SER 261 Cb 0.13 -0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 62.04 1pw2 h SER 261 CO -0.03 0.21 0.11 0.25 -0.53 0.00 0.00 176.83 176.84 1pw2 h LEU 262 N -0.01 0.76 -0.74 2.23 5.85 -0.95 -2.56 115.31 119.89 1pw2 h LEU 262 Ca 0.03 -0.24 -0.00 0.00 0.84 0.00 0.00 57.88 58.50 1pw2 h LEU 262 Cb 0.14 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 40.93 1pw2 h LEU 262 CO -0.00 0.81 0.45 0.25 -0.34 0.00 0.00 178.44 179.61 1pw2 h LEU 263 N 0.69 0.88 -0.87 2.25 5.85 -0.77 -1.44 115.31 121.89 1pw2 h LEU 263 Ca 0.15 -0.06 0.05 0.00 0.84 0.00 0.00 57.88 58.87 1pw2 h LEU 263 Cb 0.35 -0.22 -0.06 0.00 0.37 0.00 0.00 40.66 41.10 1pw2 h LEU 263 CO 0.00 0.67 0.55 -1.28 -0.34 0.00 0.00 178.44 178.05 1pw2 h SER 264 N 1.00 0.88 0.58 1.25 0.87 -0.96 -0.82 113.55 116.35 1pw2 h SER 264 Ca 0.27 0.01 -0.08 0.00 -1.23 0.00 0.00 61.79 60.75 1pw2 h SER 264 Cb -0.05 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 61.72 1pw2 h SER 264 CO -0.05 0.58 -0.40 1.56 -0.53 0.00 0.00 176.83 177.99 1pw2 h GLN 265 N 1.02 0.00 0.00 2.24 4.20 -0.98 -2.53 115.11 119.06 1pw2 h GLN 265 Ca 0.37 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.08 1pw2 h GLN 265 Cb 0.12 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.90 1pw2 h GLN 265 CO -0.16 0.40 0.00 0.52 -0.67 0.00 0.00 178.83 178.92 1pw2 h MET 266 N 0.00 0.00 -0.48 1.46 2.86 -0.21 -2.06 114.93 116.49 1pw2 h MET 266 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1pw2 h MET 266 Cb 0.79 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.45 1pw2 h MET 266 CO 0.05 0.00 0.00 1.28 1.06 0.00 0.00 176.91 179.30 1pw2 n LEU 267 N -2.99 4.15 -4.77 1.22 4.32 -0.43 -3.80 117.00 114.70 1pw2 n LEU 267 Ca 0.04 -2.49 -0.41 0.00 -0.02 0.00 0.00 56.01 53.13 1pw2 n LEU 267 Cb 0.51 -0.49 -0.01 0.00 -1.62 0.00 0.00 43.42 41.82 1pw2 n LEU 267 CO 0.33 0.76 1.16 -1.00 -1.22 0.00 0.00 177.39 177.42 1pw2 s HIS 268 N -1.90 2.69 0.05 -1.77 3.76 -1.00 -4.93 115.29 112.18 1pw2 s HIS 268 Ca 0.42 1.05 -0.30 0.00 -0.15 0.00 0.00 55.06 56.09 1pw2 s HIS 268 Cb 0.29 -4.01 -0.18 0.00 1.11 0.00 0.00 32.58 29.79 1pw2 s HIS 268 CO 0.19 -3.11 1.50 1.88 -0.85 0.00 0.00 174.74 174.35 1pw2 h TYR 269 N 3.72 -0.67 -2.35 1.40 0.05 -1.92 -3.42 116.97 113.79 1pw2 h TYR 269 Ca -0.49 -0.02 -0.56 0.00 0.05 0.00 0.00 58.73 57.71 1pw2 h TYR 269 Cb 1.23 0.22 -0.00 0.00 1.01 0.00 0.00 36.73 39.19 1pw2 h TYR 269 CO 0.55 -0.37 1.31 0.34 -1.05 0.00 0.00 178.16 178.94 1pw2 s ASP 270 N -4.63 6.02 0.43 3.88 -1.08 -1.26 -4.84 116.67 115.19 1pw2 s ASP 270 Ca -0.16 2.03 0.21 0.00 -0.52 0.00 0.00 52.55 54.10 1pw2 s ASP 270 Cb 0.03 -2.52 1.17 0.00 -1.46 0.00 0.00 42.92 40.14 1pw2 s ASP 270 CO 0.59 -1.49 1.82 -0.65 0.52 0.00 0.00 175.17 175.96 1pw2 h PRO 271 N 12.46 0.32 0.00 4.34 0.11 -1.96 0.15 132.00 147.42 1pw2 h PRO 271 Ca -0.41 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 65.62 1pw2 h PRO 271 Cb 1.21 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 1pw2 h PRO 271 CO 0.97 0.21 -0.28 -0.91 -0.21 0.00 0.00 178.00 177.78 1pw2 h ASN 272 N 0.33 0.00 0.96 -2.05 4.21 -1.94 -3.05 115.58 114.03 1pw2 h ASN 272 Ca 0.53 0.00 -0.07 0.00 1.21 0.00 0.00 56.30 57.97 1pw2 h ASN 272 Cb 1.47 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 38.65 1pw2 h ASN 272 CO -0.20 0.28 -1.08 0.11 -1.29 0.00 0.00 177.43 175.26 1pw2 h LYS 273 N 0.00 0.00 -6.70 0.81 1.57 -1.12 -3.47 116.57 107.66 1pw2 h LYS 273 Ca -0.00 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.25 1pw2 h LYS 273 Cb 0.88 0.00 0.07 0.00 0.08 0.00 0.00 32.23 33.26 1pw2 h LYS 273 CO 0.04 0.14 0.94 -2.13 -0.57 0.00 0.00 179.45 177.87 1pw2 n ARG 274 N -2.81 2.70 -1.71 3.15 0.63 -0.66 -4.91 116.66 113.04 1pw2 n ARG 274 Ca -0.03 0.97 -0.40 0.00 -0.92 0.00 0.00 57.85 57.47 1pw2 n ARG 274 Cb 0.67 -2.78 0.03 0.00 0.45 0.00 0.00 32.46 30.83 1pw2 n ARG 274 CO 0.00 0.00 0.00 1.51 -2.51 0.00 0.00 177.63 176.63 1pw2 n ILE 275 N 3.18 3.10 -2.23 5.15 3.06 -0.78 -5.01 119.36 125.84 1pw2 n ILE 275 Ca 0.13 -0.50 -0.28 0.00 -2.50 0.00 0.00 62.75 59.60 1pw2 n ILE 275 Cb 0.35 -1.56 0.03 0.00 0.54 0.00 0.00 39.64 39.00 1pw2 n ILE 275 CO 0.00 0.00 0.00 -0.94 -2.50 0.00 0.00 176.55 173.11 1pw2 s SER 276 N -0.73 5.59 0.14 9.51 1.04 -1.26 -4.89 113.70 123.11 1pw2 s SER 276 Ca 0.66 0.87 -0.14 0.00 0.48 0.00 0.00 55.95 57.82 1pw2 s SER 276 Cb -0.46 -1.82 0.02 0.00 0.10 0.00 0.00 66.02 63.86 1pw2 s SER 276 CO 0.54 -1.12 1.68 0.00 0.98 0.00 0.00 173.24 175.31 1pw2 h ALA 277 N -0.31 0.61 -0.18 5.32 0.00 -1.94 -1.26 119.26 121.50 1pw2 h ALA 277 Ca -0.45 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.29 1pw2 h ALA 277 Cb 1.25 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 1pw2 h ALA 277 CO 0.62 0.25 0.12 -0.22 0.00 0.00 0.00 179.25 180.01 1pw2 h LYS 278 N 0.62 0.24 -0.27 0.00 3.64 -1.92 -2.12 116.57 116.75 1pw2 h LYS 278 Ca 0.15 -0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.46 1pw2 h LYS 278 Cb 0.24 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.99 1pw2 h LYS 278 CO -0.01 0.16 -0.09 0.00 -2.27 0.00 0.00 179.45 177.24 1pw2 h ALA 279 N 1.06 1.35 -0.19 5.00 0.00 -1.92 -2.51 119.26 122.04 1pw2 h ALA 279 Ca 0.07 -0.24 -0.08 0.00 0.00 0.00 0.00 54.91 54.66 1pw2 h ALA 279 Cb -0.02 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1pw2 h ALA 279 CO -0.01 0.44 -0.22 0.00 0.00 0.00 0.00 179.25 179.46 1pw2 h ALA 280 N 1.50 1.28 0.00 0.00 0.00 -0.81 -2.24 119.26 118.99 1pw2 h ALA 280 Ca 0.08 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 1pw2 h ALA 280 Cb 0.42 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 1pw2 h ALA 280 CO 0.02 0.48 -0.04 -0.07 0.00 0.00 0.00 179.25 179.64 1pw2 h LEU 281 N 0.31 0.00 -0.96 0.00 3.38 -0.93 -1.71 115.31 115.40 1pw2 h LEU 281 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1pw2 h LEU 281 Cb 0.56 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.31 1pw2 h LEU 281 CO 0.04 0.04 -0.12 0.00 0.09 0.00 0.00 178.44 178.48 1pw2 n ALA 282 N -2.16 2.81 -1.77 1.53 0.00 -0.85 -4.87 120.51 115.19 1pw2 n ALA 282 Ca -0.02 -0.49 -0.40 0.00 0.00 0.00 0.00 53.44 52.53 1pw2 n ALA 282 Cb 0.18 -1.07 -0.01 0.00 0.00 0.00 0.00 19.45 18.55 1pw2 n ALA 282 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1pw2 s HIS 283 N -2.20 2.85 0.65 0.00 5.04 -0.65 -4.88 115.29 116.11 1pw2 s HIS 283 Ca 0.31 1.34 0.28 0.00 -1.54 0.00 0.00 55.06 55.44 1pw2 s HIS 283 Cb 0.20 -3.78 1.48 0.00 0.04 0.00 0.00 32.58 30.52 1pw2 s HIS 283 CO 0.41 -2.26 1.85 -1.35 -2.34 0.00 0.00 174.74 171.04 1pw2 h PRO 284 N 3.08 0.00 0.00 2.88 0.11 -1.92 -1.33 132.00 134.82 1pw2 h PRO 284 Ca -0.50 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.61 1pw2 h PRO 284 Cb 1.24 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.35 1pw2 h PRO 284 CO 0.64 0.00 -0.01 0.35 -0.21 0.00 0.00 178.00 178.77 1pw2 h PHE 285 N 0.00 0.00 -0.45 0.65 3.57 -1.90 -1.95 116.94 116.86 1pw2 h PHE 285 Ca 0.03 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.53 1pw2 h PHE 285 Cb 0.85 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.59 1pw2 h PHE 285 CO 0.00 0.01 0.00 1.19 -2.23 0.00 0.00 178.31 177.28 1pw2 n PHE 286 N -4.34 0.60 -0.32 0.41 3.72 -0.50 -4.47 117.46 112.56 1pw2 n PHE 286 Ca -0.03 -0.30 0.07 0.00 -0.05 0.00 0.00 57.45 57.14 1pw2 n PHE 286 Cb 0.10 0.00 0.23 0.00 -0.94 0.00 0.00 39.48 38.87 1pw2 n PHE 286 CO 0.00 0.00 0.00 0.37 -0.05 0.00 0.00 176.76 177.08 1pw2 h GLN 287 N 3.11 0.77 -0.53 -1.08 5.75 -1.51 -2.00 115.11 119.62 1pw2 h GLN 287 Ca 0.00 -0.05 -0.28 0.00 -0.15 0.00 0.00 58.65 58.18 1pw2 h GLN 287 Cb 0.70 -0.17 -0.16 0.00 1.07 0.00 0.00 27.48 28.92 1pw2 h GLN 287 CO 0.00 0.51 0.11 -0.40 -2.65 0.00 0.00 178.83 176.40 1pw2 n ASP 288 N -4.75 2.79 -4.77 -0.69 5.75 -1.26 -5.02 116.55 108.60 1pw2 n ASP 288 Ca 0.18 -3.75 -0.40 0.00 -0.01 0.00 0.00 54.79 50.81 1pw2 n ASP 288 Cb 0.39 -0.69 -0.02 0.00 -1.03 0.00 0.00 41.12 39.77 1pw2 n ASP 288 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1pw2 s VAL 289 N -3.27 2.82 0.36 2.12 0.11 -0.75 -5.03 120.40 116.76 1pw2 s VAL 289 Ca 0.48 0.76 0.06 0.00 -2.93 0.00 0.00 61.98 60.35 1pw2 s VAL 289 Cb 0.43 -3.46 -0.03 0.00 -1.53 0.00 0.00 36.38 31.79 1pw2 s VAL 289 CO 0.03 0.14 0.23 0.42 -3.33 0.00 0.00 175.10 172.58 1pw2 s THR 290 N -1.24 0.18 -0.61 5.04 -4.23 -1.26 -5.09 115.64 108.43 1pw2 s THR 290 Ca 0.53 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 59.09 1pw2 s THR 290 Cb -0.37 -2.43 0.16 0.00 1.34 0.00 0.00 72.50 71.20 1pw2 s THR 290 CO 0.48 0.00 0.40 -0.75 -0.54 0.00 0.00 174.62 174.21 1pw2 s LYS 291 N -3.53 2.09 0.59 3.99 2.20 -1.26 -4.37 119.74 119.46 1pw2 s LYS 291 Ca 0.34 -2.93 -0.17 0.00 -0.36 0.00 0.00 55.97 52.85 1pw2 s LYS 291 Cb 0.02 -3.11 -0.04 0.00 -1.51 0.00 0.00 37.83 33.19 1pw2 s LYS 291 CO 0.23 -1.24 1.08 -2.14 -0.36 0.00 0.00 175.35 172.92 1pw2 s PRO 292 N -0.87 3.23 -0.21 4.03 0.02 -1.26 -4.98 135.00 134.96 1pw2 s PRO 292 Ca 0.23 1.35 -0.17 0.00 0.02 0.00 0.00 61.00 62.43 1pw2 s PRO 292 Cb -0.11 -2.01 -0.04 0.00 0.02 0.00 0.00 34.50 32.36 1pw2 s PRO 292 CO -0.11 -0.90 0.44 0.14 -0.33 0.00 0.00 177.00 176.24 1pw2 s VAL 293 N -2.24 5.16 0.50 3.83 -7.23 -1.26 -4.42 120.40 114.73 1pw2 s VAL 293 Ca 0.67 0.78 -0.19 0.00 -1.81 0.00 0.00 61.98 61.43 1pw2 s VAL 293 Cb -0.19 -3.77 -0.08 0.00 0.56 0.00 0.00 36.38 32.90 1pw2 s VAL 293 CO 0.34 0.21 1.00 -2.16 -0.31 0.00 0.00 175.10 174.18 1pw2 s PRO 294 N 1.57 3.89 -0.55 4.82 0.04 -1.26 -4.98 135.00 138.54 1pw2 s PRO 294 Ca 0.20 1.14 -0.20 0.00 0.04 0.00 0.00 61.00 62.19 1pw2 s PRO 294 Cb -0.15 -2.12 0.07 0.00 0.04 0.00 0.00 34.50 32.34 1pw2 s PRO 294 CO 0.09 -0.33 0.71 -1.58 0.04 0.00 0.00 177.00 175.93 1pw2 s HIS 295 N -2.31 2.97 -0.12 0.56 2.46 -1.26 -4.89 115.29 112.70 1pw2 s HIS 295 Ca 0.63 -0.61 -0.02 0.00 0.47 0.00 0.00 55.06 55.53 1pw2 s HIS 295 Cb -0.12 -3.80 -0.03 0.00 -0.13 0.00 0.00 32.58 28.50 1pw2 s HIS 295 CO 0.24 -1.20 -0.07 -0.51 -2.47 0.00 0.00 174.74 170.73 1pw2 s LEU 296 N 2.92 3.11 -0.57 8.88 1.02 -1.26 -5.07 118.68 127.71 1pw2 s LEU 296 Ca 0.16 -0.14 0.04 0.00 0.02 0.00 0.00 54.13 54.21 1pw2 s LEU 296 Cb -0.20 -1.72 0.14 0.00 0.02 0.00 0.00 46.19 44.44 1pw2 s LEU 296 CO 0.11 0.23 0.33 -0.60 0.02 0.00 0.00 176.35 176.43 1pw2 s ARG 297 N 0.01 2.11 0.00 1.70 3.52 -1.26 -5.07 118.95 119.96 1pw2 s ARG 297 Ca -0.01 -2.83 0.20 0.00 -0.13 0.00 0.00 55.73 52.97 1pw2 s ARG 297 Cb -0.14 -3.33 1.22 0.00 -1.56 0.00 0.00 34.95 31.14 1pw2 s ARG 297 CO 0.03 -1.16 1.60 1.28 -0.81 0.00 0.00 175.30 176.24