#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pq2 s ALA 2 N 0.00 -0.11 -0.36 0.00 0.00 -1.26 -1.62 121.76 118.41 2pq2 s ALA 2 Ca 0.00 0.52 -0.11 0.00 0.00 0.00 0.00 51.96 52.37 2pq2 s ALA 2 Cb 0.00 -0.49 0.02 0.00 0.00 0.00 0.00 23.12 22.64 2pq2 s ALA 2 CO 0.00 -0.26 0.21 -1.14 0.00 0.00 0.00 175.76 174.57 2pq2 s GLN 3 N 1.47 3.00 0.54 0.00 0.74 0.02 -4.96 119.66 120.46 2pq2 s GLN 3 Ca -0.05 -0.97 -0.17 0.00 0.05 0.00 0.00 55.36 54.23 2pq2 s GLN 3 Cb -0.12 -3.72 -0.07 0.00 1.10 0.00 0.00 33.01 30.20 2pq2 s GLN 3 CO -0.05 -0.62 1.01 0.95 -0.55 0.00 0.00 175.29 176.02 2pq2 s THR 4 N 1.59 4.28 -1.49 -0.34 -4.23 -1.26 -1.11 115.64 113.09 2pq2 s THR 4 Ca 0.03 1.11 -0.00 0.00 -1.18 0.00 0.00 61.69 61.65 2pq2 s THR 4 Cb -0.19 -3.61 0.00 0.00 1.34 0.00 0.00 72.50 70.05 2pq2 s THR 4 CO 0.07 -0.61 0.21 0.59 -0.54 0.00 0.00 174.62 174.34 2pq2 n ASN 5 N -1.68 0.30 -4.85 3.99 3.02 -0.98 -4.94 115.26 110.12 2pq2 n ASN 5 Ca 0.07 -1.15 -0.31 0.00 -0.03 0.00 0.00 54.58 53.16 2pq2 n ASN 5 Cb 0.54 -2.29 0.02 0.00 -0.61 0.00 0.00 39.78 37.43 2pq2 n ASN 5 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2pq2 s ALA 6 N -4.17 2.97 0.39 5.41 0.00 0.05 -5.01 121.76 121.40 2pq2 s ALA 6 Ca 0.02 -0.01 -0.25 0.00 0.00 0.00 0.00 51.96 51.71 2pq2 s ALA 6 Cb -0.01 -3.11 -0.11 0.00 0.00 0.00 0.00 23.12 19.89 2pq2 s ALA 6 CO 0.95 -0.82 1.07 -2.30 0.00 0.00 0.00 175.76 174.66 2pq2 n PRO 7 N -2.78 1.50 -0.26 0.00 -0.02 -1.26 -4.79 135.00 127.39 2pq2 n PRO 7 Ca 0.07 0.54 0.12 0.00 -2.02 0.00 0.00 63.50 62.20 2pq2 n PRO 7 Cb 0.54 -2.09 0.38 0.00 -0.02 0.00 0.00 33.50 32.32 2pq2 n PRO 7 CO 0.00 0.00 0.00 0.11 1.98 0.00 0.00 175.50 177.59 2pq2 h TRP 8 N 1.77 0.80 -0.60 6.00 5.08 -1.91 -1.95 115.95 125.15 2pq2 h TRP 8 Ca -0.44 0.02 -0.00 0.00 1.08 0.00 0.00 58.89 59.55 2pq2 h TRP 8 Cb 1.33 -0.25 -0.03 0.00 -3.00 0.00 0.00 29.16 27.21 2pq2 h TRP 8 CO 0.45 0.30 0.36 0.78 -1.28 0.00 0.00 178.44 179.05 2pq2 h GLY 9 N 0.68 0.86 0.91 11.11 0.00 -1.92 0.21 103.07 114.91 2pq2 h GLY 9 Ca 0.44 -0.36 -0.02 0.00 0.00 0.00 0.00 47.33 47.40 2pq2 h GLY 9 CO -0.20 0.35 0.11 1.41 0.00 0.00 0.00 176.54 178.20 2pq2 h LEU 10 N 0.81 0.36 -0.64 3.11 3.38 -1.72 -2.38 115.31 118.23 2pq2 h LEU 10 Ca 0.21 -0.16 0.07 0.00 0.09 0.00 0.00 57.88 58.09 2pq2 h LEU 10 Cb -0.02 -0.09 -0.06 0.00 0.09 0.00 0.00 40.66 40.57 2pq2 h LEU 10 CO -0.04 0.43 0.33 0.00 0.09 0.00 0.00 178.44 179.25 2pq2 h ALA 11 N 0.95 0.85 -0.75 1.53 0.00 -1.23 -2.97 119.26 117.65 2pq2 h ALA 11 Ca 0.09 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 2pq2 h ALA 11 Cb 0.18 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 2pq2 h ALA 11 CO -0.01 -0.03 0.40 -0.09 0.00 0.00 0.00 179.25 179.52 2pq2 h ARG 12 N 0.59 1.05 0.00 0.00 9.65 -0.71 -2.36 114.38 122.61 2pq2 h ARG 12 Ca 0.30 -0.13 0.00 0.00 -1.10 0.00 0.00 59.98 59.05 2pq2 h ARG 12 Cb 0.24 -0.20 0.00 0.00 -1.39 0.00 0.00 29.97 28.62 2pq2 h ARG 12 CO -0.21 0.79 0.00 0.44 2.80 0.00 0.00 179.97 183.79 2pq2 n ILE 13 N -4.44 0.73 -1.00 1.20 -5.35 -0.92 -2.46 119.36 107.13 2pq2 n ILE 13 Ca 0.07 0.18 0.09 0.00 -0.27 0.00 0.00 62.75 62.82 2pq2 n ILE 13 Cb 0.10 -0.87 0.23 0.00 -1.74 0.00 0.00 39.64 37.36 2pq2 n ILE 13 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 2pq2 n SER 14 N -1.51 3.53 -3.99 7.28 3.41 -0.90 -0.01 113.62 121.42 2pq2 n SER 14 Ca 0.04 -3.02 -0.09 0.00 -0.26 0.00 0.00 58.87 55.55 2pq2 n SER 14 Cb 0.22 -0.51 -0.10 0.00 -0.26 0.00 0.00 64.21 63.55 2pq2 n SER 14 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2pq2 s SER 15 N -2.13 0.28 0.00 4.04 1.04 -1.03 -4.70 113.70 111.20 2pq2 s SER 15 Ca 0.40 -0.62 0.27 0.00 0.48 0.00 0.00 55.95 56.48 2pq2 s SER 15 Cb 0.32 0.16 0.90 0.00 0.10 0.00 0.00 66.02 67.51 2pq2 s SER 15 CO 0.08 -0.42 1.68 0.35 0.98 0.00 0.00 173.24 175.90 2pq2 n THR 16 N 1.04 0.00 -4.11 2.02 -2.24 -1.26 -4.89 114.28 104.84 2pq2 n THR 16 Ca -0.20 -0.02 -0.15 0.00 -2.27 0.00 0.00 64.05 61.41 2pq2 n THR 16 Cb 0.57 -0.07 -0.12 0.00 -2.10 0.00 0.00 70.33 68.62 2pq2 n THR 16 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2pq2 s SER 17 N -2.88 1.16 0.88 3.42 1.04 -1.26 -5.08 113.70 110.98 2pq2 s SER 17 Ca 0.16 -0.59 -0.12 0.00 0.48 0.00 0.00 55.95 55.88 2pq2 s SER 17 Cb 0.19 0.01 0.12 0.00 0.10 0.00 0.00 66.02 66.43 2pq2 s SER 17 CO 0.59 -0.17 1.10 -2.16 0.98 0.00 0.00 173.24 173.58 2pq2 s PRO 18 N -1.74 1.40 0.00 4.02 0.04 -1.26 -4.42 135.00 133.04 2pq2 s PRO 18 Ca -0.06 0.61 0.00 0.00 0.04 0.00 0.00 61.00 61.59 2pq2 s PRO 18 Cb -0.09 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 32.60 2pq2 s PRO 18 CO 0.01 -2.09 0.00 0.41 0.04 0.00 0.00 177.00 175.37 2pq2 n GLY 19 N -1.66 0.75 3.91 0.56 0.00 -1.26 -5.06 105.19 102.43 2pq2 n GLY 19 Ca 0.07 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.82 2pq2 n GLY 19 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2pq2 s THR 20 N -2.76 3.66 0.00 2.61 -4.23 -1.26 -5.03 115.64 108.64 2pq2 s THR 20 Ca 0.00 0.08 0.00 0.00 -1.18 0.00 0.00 61.69 60.59 2pq2 s THR 20 Cb 0.00 -3.47 0.00 0.00 1.34 0.00 0.00 72.50 70.37 2pq2 s THR 20 CO 0.00 -0.50 0.44 -1.54 -0.54 0.00 0.00 174.62 172.48 2pq2 n SER 21 N -2.63 0.72 -4.52 3.99 3.41 -1.26 -4.76 113.62 108.56 2pq2 n SER 21 Ca 0.05 -1.18 -0.34 0.00 -0.26 0.00 0.00 58.87 57.14 2pq2 n SER 21 Cb 0.57 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 64.41 2pq2 n SER 21 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2pq2 s THR 22 N -0.18 3.99 -0.41 6.66 2.01 -1.26 -0.77 115.64 125.67 2pq2 s THR 22 Ca 0.00 -0.33 -0.18 0.00 0.31 0.00 0.00 61.69 61.49 2pq2 s THR 22 Cb 0.00 -2.75 0.02 0.00 0.01 0.00 0.00 72.50 69.78 2pq2 s THR 22 CO 0.00 0.50 0.48 -0.47 -0.69 0.00 0.00 174.62 174.44 2pq2 s TYR 23 N 0.28 3.15 -0.16 4.92 5.04 -0.26 -4.47 117.35 125.85 2pq2 s TYR 23 Ca -0.03 -0.25 -0.13 0.00 -2.44 0.00 0.00 57.07 54.22 2pq2 s TYR 23 Cb -0.14 -2.97 -0.05 0.00 0.35 0.00 0.00 41.96 39.15 2pq2 s TYR 23 CO 0.03 -0.70 0.28 0.71 -1.34 0.00 0.00 175.55 174.53 2pq2 s TYR 24 N 2.28 3.47 0.04 4.97 2.02 -1.26 -0.80 117.35 128.06 2pq2 s TYR 24 Ca 0.15 0.59 -0.23 0.00 -0.37 0.00 0.00 57.07 57.21 2pq2 s TYR 24 Cb -0.16 -2.32 0.05 0.00 -0.40 0.00 0.00 41.96 39.13 2pq2 s TYR 24 CO 0.15 0.27 0.54 1.52 -1.57 0.00 0.00 175.55 176.45 2pq2 s TYR 25 N 0.38 -0.45 0.22 2.71 1.13 -0.64 -4.77 117.35 115.93 2pq2 s TYR 25 Ca 0.16 0.55 -0.30 0.00 -1.41 0.00 0.00 57.07 56.07 2pq2 s TYR 25 Cb -0.13 0.35 -0.09 0.00 -1.10 0.00 0.00 41.96 41.00 2pq2 s TYR 25 CO 0.04 -0.64 1.22 0.34 -2.51 0.00 0.00 175.55 174.00 2pq2 s ASP 26 N -1.87 7.04 0.60 -0.18 -1.08 -1.26 -0.89 116.67 119.03 2pq2 s ASP 26 Ca -0.06 2.32 0.40 0.00 -0.52 0.00 0.00 52.55 54.69 2pq2 s ASP 26 Cb -0.01 -2.61 2.17 0.00 -1.46 0.00 0.00 42.92 41.01 2pq2 s ASP 26 CO -0.00 -0.39 2.23 1.05 0.52 0.00 0.00 175.17 178.58 2pq2 h GLU 27 N 4.89 0.00 -0.75 4.34 9.09 -2.01 -1.69 114.58 128.45 2pq2 h GLU 27 Ca -0.45 0.00 0.10 0.00 0.05 0.00 0.00 59.36 59.06 2pq2 h GLU 27 Cb 1.21 0.00 -0.05 0.00 -1.65 0.00 0.00 28.75 28.26 2pq2 h GLU 27 CO 0.73 0.00 0.49 0.66 0.05 0.00 0.00 179.01 180.94 2pq2 h SER 28 N 0.00 0.56 -5.49 3.06 4.64 -2.00 -3.46 113.55 110.86 2pq2 h SER 28 Ca 0.00 0.02 -0.39 0.00 -0.47 0.00 0.00 61.79 60.94 2pq2 h SER 28 Cb 0.03 -0.10 -0.07 0.00 -0.31 0.00 0.00 62.40 61.95 2pq2 h SER 28 CO 0.00 0.33 -0.59 0.00 -0.87 0.00 0.00 176.83 175.70 2pq2 n ALA 29 N -2.47 -1.08 -1.04 5.18 0.00 -0.64 -1.30 120.51 119.16 2pq2 n ALA 29 Ca 0.13 0.10 -0.01 0.00 0.00 0.00 0.00 53.44 53.66 2pq2 n ALA 29 Cb 0.36 -3.03 -0.01 0.00 0.00 0.00 0.00 19.45 16.78 2pq2 n ALA 29 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pq2 n GLY 30 N -1.25 0.52 3.75 0.00 0.00 -1.26 -0.43 105.19 106.52 2pq2 n GLY 30 Ca -0.01 -0.43 -0.41 0.00 0.00 0.00 0.00 46.02 45.16 2pq2 n GLY 30 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2pq2 s GLN 31 N -1.21 4.23 0.00 1.61 0.74 -0.42 -2.31 119.66 122.30 2pq2 s GLN 31 Ca 0.00 2.37 0.00 0.00 0.05 0.00 0.00 55.36 57.78 2pq2 s GLN 31 Cb 0.00 -3.09 0.00 0.00 1.10 0.00 0.00 33.01 31.02 2pq2 s GLN 31 CO 0.00 -0.46 0.00 0.41 -0.55 0.00 0.00 175.29 174.69 2pq2 n GLY 32 N 2.11 1.20 3.99 2.59 0.00 -1.26 -4.85 105.19 108.96 2pq2 n GLY 32 Ca 0.07 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.90 2pq2 n GLY 32 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2pq2 s SER 33 N -2.66 5.95 -0.02 1.61 1.04 -0.98 -0.97 113.70 117.68 2pq2 s SER 33 Ca 0.00 -0.16 0.02 0.00 0.48 0.00 0.00 55.95 56.29 2pq2 s SER 33 Cb 0.00 -1.24 0.00 0.00 0.10 0.00 0.00 66.02 64.89 2pq2 s SER 33 CO 0.00 -0.46 -0.05 0.00 0.98 0.00 0.00 173.24 173.71 2pq2 s VAL 35 N 0.20 1.79 -0.20 0.00 1.01 0.05 -0.71 120.40 122.53 2pq2 s VAL 35 Ca -0.02 -0.79 -0.21 0.00 0.00 0.00 0.00 61.98 60.96 2pq2 s VAL 35 Cb -0.06 -1.62 -0.02 0.00 0.00 0.00 0.00 36.38 34.67 2pq2 s VAL 35 CO -0.00 0.50 0.65 -0.31 0.00 0.00 0.00 175.10 175.94 2pq2 s TYR 36 N 1.15 3.37 -0.36 5.22 1.51 0.40 -1.19 117.35 127.46 2pq2 s TYR 36 Ca -0.01 0.96 -0.12 0.00 -1.01 0.00 0.00 57.07 56.89 2pq2 s TYR 36 Cb -0.14 -2.83 0.01 0.00 -0.11 0.00 0.00 41.96 38.89 2pq2 s TYR 36 CO -0.07 -0.19 0.21 0.08 -1.11 0.00 0.00 175.55 174.47 2pq2 s VAL 37 N 1.99 4.80 -0.47 0.71 1.01 0.41 -0.66 120.40 128.17 2pq2 s VAL 37 Ca 0.30 -0.63 -0.14 0.00 0.00 0.00 0.00 61.98 61.51 2pq2 s VAL 37 Cb -0.16 -3.59 0.09 0.00 0.00 0.00 0.00 36.38 32.72 2pq2 s VAL 37 CO 0.10 -0.14 0.38 -0.63 0.00 0.00 0.00 175.10 174.81 2pq2 s ILE 38 N 1.61 4.95 0.00 2.22 1.01 -0.94 -1.63 121.20 128.42 2pq2 s ILE 38 Ca 0.04 -1.26 0.00 0.00 0.00 0.00 0.00 60.65 59.43 2pq2 s ILE 38 Cb -0.18 -4.02 0.00 0.00 0.01 0.00 0.00 42.46 38.26 2pq2 s ILE 38 CO 0.08 -0.63 0.00 -0.67 0.00 0.00 0.00 174.94 173.72 2pq2 n ASP 39 N 5.13 1.45 -0.20 3.58 -0.08 -0.43 -4.31 116.55 121.69 2pq2 n ASP 39 Ca -0.12 0.00 0.13 0.00 -1.51 0.00 0.00 54.79 53.29 2pq2 n ASP 39 Cb 0.43 0.00 0.65 0.00 2.34 0.00 0.00 41.12 44.54 2pq2 n ASP 39 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 2pq2 n THR 40 N 0.00 0.04 0.00 5.18 -2.24 -1.26 -1.45 114.28 114.55 2pq2 n THR 40 Ca 0.00 -0.11 0.00 0.00 -2.27 0.00 0.00 64.05 61.67 2pq2 n THR 40 Cb 0.00 -0.07 0.00 0.00 -2.10 0.00 0.00 70.33 68.16 2pq2 n THR 40 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2pq2 n GLY 41 N 1.00 -1.34 2.86 3.38 0.00 -1.26 -4.09 105.19 105.74 2pq2 n GLY 41 Ca 0.19 -2.24 -0.18 0.00 0.00 0.00 0.00 46.02 43.79 2pq2 n GLY 41 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2pq2 s ILE 42 N -0.93 0.33 -1.04 -0.61 1.01 -1.26 -2.74 121.20 115.96 2pq2 s ILE 42 Ca 0.00 -0.02 -0.23 0.00 0.00 0.00 0.00 60.65 60.40 2pq2 s ILE 42 Cb 0.00 -0.39 -0.01 0.00 0.01 0.00 0.00 42.46 42.07 2pq2 s ILE 42 CO 0.00 0.17 1.77 -0.70 0.00 0.00 0.00 174.94 176.19 2pq2 s GLU 43 N 0.88 3.03 0.58 2.79 2.12 -1.26 -4.57 118.70 122.27 2pq2 s GLU 43 Ca -0.10 -0.90 0.33 0.00 0.36 0.00 0.00 54.97 54.66 2pq2 s GLU 43 Cb -0.13 -5.24 1.82 0.00 0.26 0.00 0.00 34.13 30.84 2pq2 s GLU 43 CO -0.01 -3.01 2.21 0.00 -0.54 0.00 0.00 175.26 173.91 2pq2 h ALA 44 N 10.11 1.27 -0.00 6.30 0.00 -1.97 -2.44 119.26 132.52 2pq2 h ALA 44 Ca 0.19 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.07 2pq2 h ALA 44 Cb 0.98 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.76 2pq2 h ALA 44 CO 1.31 0.05 -0.01 -1.13 0.00 0.00 0.00 179.25 179.47 2pq2 n SER 45 N -3.52 0.02 -4.69 0.00 3.41 -1.26 -4.65 113.62 102.92 2pq2 n SER 45 Ca -0.02 0.14 -0.44 0.00 -0.26 0.00 0.00 58.87 58.29 2pq2 n SER 45 Cb 0.15 -0.37 -0.03 0.00 -0.26 0.00 0.00 64.21 63.69 2pq2 n SER 45 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 2pq2 n HIS 46 N -1.38 2.55 -0.20 7.33 -0.00 -0.92 -4.86 115.22 117.74 2pq2 n HIS 46 Ca 0.11 -0.06 0.28 0.00 0.46 0.00 0.00 57.72 58.51 2pq2 n HIS 46 Cb 0.29 -2.69 0.71 0.00 -0.12 0.00 0.00 29.99 28.17 2pq2 n HIS 46 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 2pq2 h PRO 47 N 8.15 0.04 0.00 1.57 0.11 -1.92 -1.38 132.00 138.58 2pq2 h PRO 47 Ca -0.46 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2pq2 h PRO 47 Cb 1.23 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.33 2pq2 h PRO 47 CO 0.94 0.02 0.00 0.93 -0.21 0.00 0.00 178.00 179.68 2pq2 h GLU 48 N 0.04 0.00 0.00 1.05 4.39 -1.96 -1.93 114.58 116.17 2pq2 h GLU 48 Ca 0.44 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.14 2pq2 h GLU 48 Cb 1.71 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.36 2pq2 h GLU 48 CO -0.02 0.00 -0.70 1.19 -1.16 0.00 0.00 179.01 178.31 2pq2 n PHE 49 N -3.05 0.25 -2.71 4.33 3.72 -0.52 -1.10 117.46 118.37 2pq2 n PHE 49 Ca -0.02 0.07 -0.18 0.00 -0.05 0.00 0.00 57.45 57.27 2pq2 n PHE 49 Cb 0.15 -0.42 0.00 0.00 -0.94 0.00 0.00 39.48 38.28 2pq2 n PHE 49 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 2pq2 n GLU 50 N -1.82 -2.87 -0.99 -1.08 1.02 -0.73 -0.54 120.64 113.63 2pq2 n GLU 50 Ca 0.04 0.74 0.00 0.00 -0.02 0.00 0.00 57.16 57.92 2pq2 n GLU 50 Cb 0.40 -5.44 0.00 0.00 -0.02 0.00 0.00 31.44 26.38 2pq2 n GLU 50 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2pq2 n GLY 51 N -1.07 0.43 0.55 0.62 0.00 -1.26 -4.91 105.19 99.55 2pq2 n GLY 51 Ca -0.14 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.02 2pq2 n GLY 51 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pq2 n ARG 52 N -2.25 1.76 -4.62 1.61 1.74 0.29 -4.89 116.66 110.31 2pq2 n ARG 52 Ca 0.00 -1.10 -0.32 0.00 -0.77 0.00 0.00 57.85 55.66 2pq2 n ARG 52 Cb 0.09 -1.48 -0.12 0.00 -1.02 0.00 0.00 32.46 29.93 2pq2 n ARG 52 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2pq2 s ALA 53 N -2.00 2.82 -0.10 7.54 0.00 -1.26 -0.82 121.76 127.93 2pq2 s ALA 53 Ca 0.37 -1.06 -0.20 0.00 0.00 0.00 0.00 51.96 51.07 2pq2 s ALA 53 Cb 0.21 -0.99 0.05 0.00 0.00 0.00 0.00 23.12 22.39 2pq2 s ALA 53 CO 0.33 0.59 0.50 1.14 0.00 0.00 0.00 175.76 178.31 2pq2 s GLN 54 N -1.25 0.74 0.03 0.00 -2.07 -0.60 -4.82 119.66 111.68 2pq2 s GLN 54 Ca 0.15 0.33 -0.29 0.00 -1.82 0.00 0.00 55.36 53.72 2pq2 s GLN 54 Cb -0.11 0.35 -0.04 0.00 -1.09 0.00 0.00 33.01 32.12 2pq2 s GLN 54 CO 0.05 -0.17 0.95 -1.64 -1.32 0.00 0.00 175.29 173.16 2pq2 s MET 55 N -0.58 4.58 -0.01 9.60 -1.94 -1.26 -0.66 119.30 129.03 2pq2 s MET 55 Ca -0.07 1.38 0.06 0.00 -1.71 0.00 0.00 55.69 55.35 2pq2 s MET 55 Cb -0.03 -3.43 -0.09 0.00 2.01 0.00 0.00 34.83 33.28 2pq2 s MET 55 CO 0.04 0.03 0.12 1.33 -0.01 0.00 0.00 175.02 176.54 2pq2 n VAL 56 N 3.58 0.01 -3.64 -6.03 0.24 -0.57 -4.87 118.33 107.05 2pq2 n VAL 56 Ca 0.04 -0.14 -0.11 0.00 -2.04 0.00 0.00 64.34 62.10 2pq2 n VAL 56 Cb 0.51 0.32 -0.07 0.00 -1.47 0.00 0.00 33.84 33.12 2pq2 n VAL 56 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 2pq2 s LYS 57 N -2.39 0.76 0.06 7.34 2.47 -1.19 -5.06 119.74 121.72 2pq2 s LYS 57 Ca -0.02 1.08 0.05 0.00 -1.56 0.00 0.00 55.97 55.52 2pq2 s LYS 57 Cb 0.04 0.27 -0.03 0.00 -1.46 0.00 0.00 37.83 36.65 2pq2 s LYS 57 CO 0.24 -0.12 -0.15 -0.08 0.16 0.00 0.00 175.35 175.40 2pq2 s THR 58 N 0.95 1.15 -0.63 3.43 -1.32 -1.26 -1.05 115.64 116.90 2pq2 s THR 58 Ca -0.05 -1.22 0.15 0.00 -1.21 0.00 0.00 61.69 59.37 2pq2 s THR 58 Cb -0.05 -1.08 0.50 0.00 -1.51 0.00 0.00 72.50 70.36 2pq2 s THR 58 CO -0.08 -0.14 1.42 -1.22 -2.21 0.00 0.00 174.62 172.39 2pq2 n TYR 59 N 1.48 0.94 -4.30 9.09 4.02 -0.76 -4.96 117.16 122.66 2pq2 n TYR 59 Ca -0.20 -0.69 -0.16 0.00 -0.01 0.00 0.00 57.90 56.84 2pq2 n TYR 59 Cb 0.54 -0.21 -0.05 0.00 -0.02 0.00 0.00 39.34 39.60 2pq2 n TYR 59 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 2pq2 n TYR 60 N 0.22 -0.02 0.03 -0.72 4.01 -1.26 -5.05 117.16 114.37 2pq2 n TYR 60 Ca 0.19 -1.75 0.04 0.00 -0.16 0.00 0.00 57.90 56.23 2pq2 n TYR 60 Cb 0.75 0.03 0.45 0.00 -0.31 0.00 0.00 39.34 40.26 2pq2 n TYR 60 CO 0.00 0.00 0.00 1.88 -0.46 0.00 0.00 176.86 178.28 2pq2 h TYR 61 N 1.49 0.46 -3.33 -0.72 -1.99 -2.00 -3.43 116.97 107.44 2pq2 h TYR 61 Ca -0.20 0.01 -0.35 0.00 2.00 0.00 0.00 58.73 60.19 2pq2 h TYR 61 Cb 0.80 -0.15 -0.14 0.00 2.00 0.00 0.00 36.73 39.23 2pq2 h TYR 61 CO 0.00 0.29 -0.70 0.45 -0.00 0.00 0.00 178.16 178.19 2pq2 s SER 62 N -6.73 1.87 0.00 3.88 0.15 -1.26 -5.03 113.70 106.58 2pq2 s SER 62 Ca -0.08 -1.06 0.26 0.00 0.70 0.00 0.00 55.95 55.76 2pq2 s SER 62 Cb 0.17 -0.02 0.57 0.00 -1.71 0.00 0.00 66.02 65.04 2pq2 s SER 62 CO 0.72 -0.36 1.46 -1.54 1.20 0.00 0.00 173.24 174.72 2pq2 n SER 63 N -0.27 1.79 -4.76 5.45 3.41 -1.26 -4.80 113.62 113.18 2pq2 n SER 63 Ca -0.09 -1.44 -0.41 0.00 -0.26 0.00 0.00 58.87 56.68 2pq2 n SER 63 Cb 0.61 0.13 -0.03 0.00 -0.26 0.00 0.00 64.21 64.67 2pq2 n SER 63 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 2pq2 s ARG 64 N -2.24 4.42 -0.67 4.33 3.52 -1.26 -4.54 118.95 122.51 2pq2 s ARG 64 Ca 0.28 2.11 -0.26 0.00 -0.13 0.00 0.00 55.73 57.73 2pq2 s ARG 64 Cb 0.20 -3.12 0.04 0.00 -1.56 0.00 0.00 34.95 30.51 2pq2 s ARG 64 CO 0.43 -0.12 1.19 0.34 -0.81 0.00 0.00 175.30 176.32 2pq2 s ASP 65 N -0.40 6.25 0.00 -2.12 2.15 -1.26 -4.84 116.67 116.45 2pq2 s ASP 65 Ca 0.50 -0.37 0.22 0.00 0.43 0.00 0.00 52.55 53.33 2pq2 s ASP 65 Cb -0.38 -2.53 0.67 0.00 -0.30 0.00 0.00 42.92 40.38 2pq2 s ASP 65 CO 0.48 -1.64 1.51 0.61 -0.17 0.00 0.00 175.17 175.96 2pq2 n GLY 66 N 5.27 0.62 0.41 2.66 0.00 -1.26 -4.51 105.19 108.38 2pq2 n GLY 66 Ca 0.03 -0.51 -0.13 0.00 0.00 0.00 0.00 46.02 45.41 2pq2 n GLY 66 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2pq2 n ASN 67 N 0.64 1.51 0.00 1.61 2.85 -1.26 -4.94 115.26 115.67 2pq2 n ASN 67 Ca 0.17 0.25 0.00 0.00 -0.11 0.00 0.00 54.58 54.89 2pq2 n ASN 67 Cb 0.41 -0.58 0.00 0.00 1.24 0.00 0.00 39.78 40.85 2pq2 n ASN 67 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2pq2 n GLY 68 N 1.98 0.81 0.20 8.20 0.00 -1.26 -4.91 105.19 110.21 2pq2 n GLY 68 Ca -0.23 -0.08 -0.08 0.00 0.00 0.00 0.00 46.02 45.64 2pq2 n GLY 68 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 2pq2 h HIS 69 N 0.00 -0.38 -0.63 1.61 6.17 -1.94 -0.47 115.15 119.50 2pq2 h HIS 69 Ca 0.00 0.03 -0.00 0.00 0.71 0.00 0.00 60.37 61.11 2pq2 h HIS 69 Cb 0.00 0.20 -0.03 0.00 2.52 0.00 0.00 27.41 30.10 2pq2 h HIS 69 CO 0.00 -0.22 0.39 0.78 0.71 0.00 0.00 177.93 179.59 2pq2 h GLY 70 N -0.14 0.91 1.01 5.26 0.00 -1.90 -1.42 103.07 106.80 2pq2 h GLY 70 Ca 0.13 -0.37 -0.01 0.00 0.00 0.00 0.00 47.33 47.09 2pq2 h GLY 70 CO -0.32 0.36 0.44 -0.84 0.00 0.00 0.00 176.54 176.18 2pq2 h THR 71 N 0.86 1.22 -0.02 4.70 2.02 -1.26 -0.38 112.91 120.04 2pq2 h THR 71 Ca 0.23 -0.49 -0.00 0.00 0.77 0.00 0.00 66.41 66.91 2pq2 h THR 71 Cb -0.05 0.18 -0.00 0.00 -1.74 0.00 0.00 68.15 66.55 2pq2 h THR 71 CO -0.04 0.23 0.01 -0.74 0.37 0.00 0.00 175.52 175.35 2pq2 h HIS 72 N 1.03 0.03 -0.31 3.16 6.17 -0.68 -0.57 115.15 123.99 2pq2 h HIS 72 Ca 0.27 -0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.35 2pq2 h HIS 72 Cb -0.02 -0.01 -0.02 0.00 2.52 0.00 0.00 27.41 29.89 2pq2 h HIS 72 CO -0.01 0.14 0.20 0.00 0.71 0.00 0.00 177.93 178.97 2pq2 h ALA 74 N 1.10 1.51 -0.90 0.00 0.00 -0.96 -2.12 119.26 117.89 2pq2 h ALA 74 Ca 0.11 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 2pq2 h ALA 74 Cb -0.04 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.45 2pq2 h ALA 74 CO -0.02 0.34 0.54 0.78 0.00 0.00 0.00 179.25 180.88 2pq2 h GLY 75 N 1.03 1.32 1.80 0.00 0.00 -0.59 -1.48 103.07 105.15 2pq2 h GLY 75 Ca 0.41 -0.55 -0.14 0.00 0.00 0.00 0.00 47.33 47.04 2pq2 h GLY 75 CO -0.16 0.54 -0.61 -0.84 0.00 0.00 0.00 176.54 175.47 2pq2 h THR 76 N 1.25 1.39 0.44 4.70 2.02 -0.96 -1.45 112.91 120.31 2pq2 h THR 76 Ca 0.32 -2.00 -0.02 0.00 0.77 0.00 0.00 66.41 65.49 2pq2 h THR 76 Cb -0.04 2.02 0.00 0.00 -1.74 0.00 0.00 68.15 68.39 2pq2 h THR 76 CO -0.06 0.59 -0.21 0.58 0.37 0.00 0.00 175.52 176.79 2pq2 h VAL 77 N 0.15 0.53 0.00 3.16 2.07 -1.05 -0.82 116.25 120.30 2pq2 h VAL 77 Ca -0.01 -0.34 -0.07 0.00 0.82 0.00 0.00 66.70 67.10 2pq2 h VAL 77 Cb 1.10 0.69 -0.10 0.00 -1.52 0.00 0.00 31.29 31.46 2pq2 h VAL 77 CO 0.09 0.06 -0.35 0.61 0.02 0.00 0.00 177.57 178.00 2pq2 n GLY 78 N -0.75 0.76 3.82 2.17 0.00 -0.59 -0.90 105.19 109.69 2pq2 n GLY 78 Ca -0.11 -0.14 -0.31 0.00 0.00 0.00 0.00 46.02 45.46 2pq2 n GLY 78 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2pq2 s SER 79 N -0.81 5.44 0.10 1.61 1.04 -0.57 -4.63 113.70 115.88 2pq2 s SER 79 Ca 0.05 1.63 -0.28 0.00 0.48 0.00 0.00 55.95 57.83 2pq2 s SER 79 Cb 0.06 -2.50 -0.12 0.00 0.10 0.00 0.00 66.02 63.57 2pq2 s SER 79 CO -0.03 -1.40 1.65 -0.09 0.98 0.00 0.00 173.24 174.35 2pq2 h ARG 80 N -0.61 -0.49 0.11 4.02 2.43 -1.39 -1.75 114.38 116.71 2pq2 h ARG 80 Ca -0.44 0.03 -0.32 0.00 -0.81 0.00 0.00 59.98 58.44 2pq2 h ARG 80 Cb 1.21 0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 30.86 2pq2 h ARG 80 CO 0.57 -0.33 -1.66 1.15 -1.51 0.00 0.00 179.97 178.19 2pq2 h THR 81 N -0.51 1.00 -0.09 0.20 2.02 -1.93 -3.39 112.91 110.21 2pq2 h THR 81 Ca -0.00 -2.67 0.00 0.00 0.77 0.00 0.00 66.41 64.51 2pq2 h THR 81 Cb 0.48 2.67 0.00 0.00 -1.74 0.00 0.00 68.15 69.56 2pq2 h THR 81 CO -0.06 0.80 0.00 -1.22 0.37 0.00 0.00 175.52 175.40 2pq2 n TYR 82 N -3.42 0.10 -3.80 3.16 4.01 -1.25 -4.74 117.16 111.21 2pq2 n TYR 82 Ca -0.20 -0.09 -0.31 0.00 -0.16 0.00 0.00 57.90 57.14 2pq2 n TYR 82 Cb 1.05 -0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 40.03 2pq2 n TYR 82 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 2pq2 s GLY 83 N -1.10 2.19 -0.09 2.72 0.00 -0.66 -4.13 107.32 106.26 2pq2 s GLY 83 Ca 0.18 -0.72 -0.27 0.00 0.00 0.00 0.00 44.72 43.91 2pq2 s GLY 83 CO 0.17 -0.67 0.98 -2.08 0.00 0.00 0.00 173.10 171.50 2pq2 h VAL 84 N 2.04 1.61 -3.60 1.40 2.07 -0.67 -3.41 116.25 115.68 2pq2 h VAL 84 Ca -0.46 -1.82 -0.72 0.00 0.82 0.00 0.00 66.70 64.52 2pq2 h VAL 84 Cb 1.16 2.84 -0.33 0.00 -1.52 0.00 0.00 31.29 33.45 2pq2 h VAL 84 CO 0.74 0.47 -0.26 0.00 0.02 0.00 0.00 177.57 178.54 2pq2 s ALA 85 N -3.09 3.69 -1.43 1.67 0.00 -0.08 -4.94 121.76 117.58 2pq2 s ALA 85 Ca -0.18 -3.25 0.23 0.00 0.00 0.00 0.00 51.96 48.76 2pq2 s ALA 85 Cb -0.01 -2.85 1.15 0.00 0.00 0.00 0.00 23.12 21.40 2pq2 s ALA 85 CO 0.68 -2.13 1.74 1.63 0.00 0.00 0.00 175.76 177.67 2pq2 n LYS 86 N 3.64 0.32 -0.03 0.00 5.02 -0.97 -2.71 118.16 123.42 2pq2 n LYS 86 Ca 0.09 0.07 0.02 0.00 -2.02 0.00 0.00 58.31 56.46 2pq2 n LYS 86 Cb 0.40 -1.50 0.02 0.00 -0.02 0.00 0.00 35.03 33.93 2pq2 n LYS 86 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2pq2 n LYS 87 N -1.29 2.01 -1.34 1.97 5.02 0.43 -4.68 118.16 120.28 2pq2 n LYS 87 Ca 0.11 -1.44 -0.30 0.00 -2.02 0.00 0.00 58.31 54.65 2pq2 n LYS 87 Cb 0.18 -0.95 0.11 0.00 -0.02 0.00 0.00 35.03 34.35 2pq2 n LYS 87 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 2pq2 s THR 88 N -1.04 3.05 -0.14 -0.18 -1.32 -1.10 -3.97 115.64 110.94 2pq2 s THR 88 Ca 0.05 0.34 -0.12 0.00 -1.21 0.00 0.00 61.69 60.75 2pq2 s THR 88 Cb 0.04 -2.92 -0.05 0.00 -1.51 0.00 0.00 72.50 68.07 2pq2 s THR 88 CO 0.00 -0.45 0.24 -1.58 -2.21 0.00 0.00 174.62 170.63 2pq2 s GLN 89 N -4.99 4.05 -0.14 7.08 2.00 -1.00 -4.90 119.66 121.75 2pq2 s GLN 89 Ca 0.62 0.02 -0.03 0.00 -2.00 0.00 0.00 55.36 53.97 2pq2 s GLN 89 Cb -0.16 -3.36 -0.03 0.00 0.80 0.00 0.00 33.01 30.27 2pq2 s GLN 89 CO 0.56 0.41 -0.06 -0.51 -0.50 0.00 0.00 175.29 175.19 2pq2 s LEU 90 N -0.02 3.14 -0.12 3.68 1.43 -0.00 -0.77 118.68 126.01 2pq2 s LEU 90 Ca 0.15 -0.16 0.03 0.00 -1.03 0.00 0.00 54.13 53.12 2pq2 s LEU 90 Cb -0.13 -1.74 0.00 0.00 0.03 0.00 0.00 46.19 44.35 2pq2 s LEU 90 CO 0.04 0.19 -0.21 -0.36 0.23 0.00 0.00 176.35 176.24 2pq2 s PHE 91 N 0.24 2.65 -0.16 0.29 0.08 -0.33 -1.56 117.98 119.20 2pq2 s PHE 91 Ca -0.04 -1.06 -0.12 0.00 0.12 0.00 0.00 56.93 55.83 2pq2 s PHE 91 Cb -0.14 -1.78 -0.05 0.00 -0.57 0.00 0.00 43.02 40.49 2pq2 s PHE 91 CO 0.03 -0.44 0.23 0.20 -0.10 0.00 0.00 175.22 175.14 2pq2 s GLY 92 N 0.51 2.17 -0.20 4.36 0.00 0.16 -0.45 107.32 113.88 2pq2 s GLY 92 Ca -0.13 -0.54 0.01 0.00 0.00 0.00 0.00 44.72 44.06 2pq2 s GLY 92 CO 0.05 0.21 -0.10 0.14 0.00 0.00 0.00 173.10 173.40 2pq2 s VAL 93 N 0.12 1.60 -0.74 1.40 1.01 -0.64 -1.52 120.40 121.63 2pq2 s VAL 93 Ca 0.14 -0.98 -0.20 0.00 0.00 0.00 0.00 61.98 60.94 2pq2 s VAL 93 Cb -0.12 -1.69 0.11 0.00 0.00 0.00 0.00 36.38 34.68 2pq2 s VAL 93 CO 0.03 0.16 0.92 -0.75 0.00 0.00 0.00 175.10 175.46 2pq2 s LYS 94 N 1.41 3.28 -0.00 2.72 2.20 -0.22 -1.32 119.74 127.81 2pq2 s LYS 94 Ca -0.01 -1.39 0.15 0.00 -0.36 0.00 0.00 55.97 54.36 2pq2 s LYS 94 Cb -0.16 -4.47 -0.17 0.00 -1.51 0.00 0.00 37.83 31.52 2pq2 s LYS 94 CO -0.08 -1.68 0.65 1.33 -0.36 0.00 0.00 175.35 175.20 2pq2 n VAL 95 N 5.53 0.00 -4.62 4.02 0.24 -0.53 -1.83 118.33 121.15 2pq2 n VAL 95 Ca 0.04 -0.14 -0.33 0.00 -2.04 0.00 0.00 64.34 61.87 2pq2 n VAL 95 Cb 0.46 0.99 -0.11 0.00 -1.47 0.00 0.00 33.84 33.71 2pq2 n VAL 95 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 2pq2 s LEU 96 N -2.73 3.12 1.12 1.34 1.43 -0.89 -4.59 118.68 117.47 2pq2 s LEU 96 Ca 0.06 -0.07 -0.19 0.00 -1.03 0.00 0.00 54.13 52.90 2pq2 s LEU 96 Cb 0.12 -1.70 0.27 0.00 0.03 0.00 0.00 46.19 44.90 2pq2 s LEU 96 CO 0.63 0.34 1.24 1.51 0.23 0.00 0.00 176.35 180.29 2pq2 s ASP 97 N -0.94 1.71 0.00 2.29 1.47 0.11 -4.40 116.67 116.92 2pq2 s ASP 97 Ca 0.13 0.33 0.20 0.00 1.18 0.00 0.00 52.55 54.40 2pq2 s ASP 97 Cb -0.11 -0.38 1.04 0.00 -0.34 0.00 0.00 42.92 43.13 2pq2 s ASP 97 CO 0.03 -3.61 1.61 0.47 0.68 0.00 0.00 175.17 174.35 2pq2 n ASP 98 N -4.36 0.00 -0.66 2.11 8.00 -1.26 -0.76 116.55 119.62 2pq2 n ASP 98 Ca 0.16 -0.12 0.12 0.00 0.71 0.00 0.00 54.79 55.66 2pq2 n ASP 98 Cb 0.59 -0.23 0.21 0.00 -0.02 0.00 0.00 41.12 41.68 2pq2 n ASP 98 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2pq2 n ASN 99 N -1.23 2.19 0.00 -2.24 3.02 -1.26 -4.18 115.26 111.56 2pq2 n ASN 99 Ca 0.11 -1.64 0.00 0.00 -0.03 0.00 0.00 54.58 53.02 2pq2 n ASN 99 Cb 0.14 0.12 0.00 0.00 -0.61 0.00 0.00 39.78 39.43 2pq2 n ASN 99 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2pq2 n GLY 100 N 1.32 0.61 3.66 7.41 0.00 0.06 -5.06 105.19 113.20 2pq2 n GLY 100 Ca 0.14 -0.25 -0.23 0.00 0.00 0.00 0.00 46.02 45.67 2pq2 n GLY 100 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2pq2 s SER 101 N -2.23 4.62 -0.18 1.61 0.01 -1.26 -4.80 113.70 111.47 2pq2 s SER 101 Ca 0.00 -0.60 -0.29 0.00 1.31 0.00 0.00 55.95 56.37 2pq2 s SER 101 Cb 0.00 -0.89 0.12 0.00 0.21 0.00 0.00 66.02 65.46 2pq2 s SER 101 CO 0.00 0.01 0.99 -0.83 0.41 0.00 0.00 173.24 173.82 2pq2 s GLY 102 N -3.61 -0.26 0.46 3.44 0.00 -1.26 0.10 107.32 106.19 2pq2 s GLY 102 Ca 0.31 2.12 -0.21 0.00 0.00 0.00 0.00 44.72 46.94 2pq2 s GLY 102 CO 0.20 1.17 1.01 1.20 0.00 0.00 0.00 173.10 176.68 2pq2 s GLN 103 N -0.87 3.97 0.26 2.90 -1.52 -1.26 -4.93 119.66 118.20 2pq2 s GLN 103 Ca -0.01 1.28 -0.03 0.00 -1.95 0.00 0.00 55.36 54.64 2pq2 s GLN 103 Cb -0.01 -2.14 0.37 0.00 -0.22 0.00 0.00 33.01 31.00 2pq2 s GLN 103 CO 0.01 -0.28 1.89 1.88 -0.25 0.00 0.00 175.29 178.54 2pq2 h TYR 104 N 1.72 1.20 -0.80 0.91 0.05 -1.99 -2.14 116.97 115.93 2pq2 h TYR 104 Ca -0.49 0.03 0.05 0.00 0.05 0.00 0.00 58.73 58.37 2pq2 h TYR 104 Cb 1.21 -0.40 -0.05 0.00 1.01 0.00 0.00 36.73 38.50 2pq2 h TYR 104 CO 0.59 0.65 0.52 0.66 -1.05 0.00 0.00 178.16 179.53 2pq2 h SER 105 N 1.21 0.80 -0.15 3.88 4.64 -1.99 -0.62 113.55 121.31 2pq2 h SER 105 Ca 0.41 -0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.63 2pq2 h SER 105 Cb 0.09 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 62.01 2pq2 h SER 105 CO -0.15 0.53 -0.32 0.74 -0.87 0.00 0.00 176.83 176.77 2pq2 h THR 106 N 0.92 1.36 -0.63 2.95 2.02 -1.78 -2.07 112.91 115.68 2pq2 h THR 106 Ca 0.33 -1.57 0.02 0.00 0.77 0.00 0.00 66.41 65.96 2pq2 h THR 106 Cb 0.14 1.98 -0.04 0.00 -1.74 0.00 0.00 68.15 68.50 2pq2 h THR 106 CO -0.11 0.47 0.40 0.40 0.37 0.00 0.00 175.52 177.05 2pq2 h ILE 107 N 0.11 1.10 -0.09 3.11 2.04 -1.03 -0.72 117.51 122.02 2pq2 h ILE 107 Ca 0.00 -0.27 0.00 0.00 1.00 0.00 0.00 64.86 65.59 2pq2 h ILE 107 Cb 0.91 0.25 -0.00 0.00 -0.74 0.00 0.00 36.82 37.23 2pq2 h ILE 107 CO 0.07 0.14 0.06 0.40 0.00 0.00 0.00 178.15 178.82 2pq2 h ILE 108 N 0.79 1.03 -0.88 -0.67 2.04 -1.15 -2.06 117.51 116.61 2pq2 h ILE 108 Ca 0.25 -0.08 0.09 0.00 1.00 0.00 0.00 64.86 66.12 2pq2 h ILE 108 Cb -0.02 0.92 -0.07 0.00 -0.74 0.00 0.00 36.82 36.91 2pq2 h ILE 108 CO -0.09 0.03 0.53 0.00 0.00 0.00 0.00 178.15 178.63 2pq2 h ALA 109 N 1.02 1.27 -0.91 1.87 0.00 -1.01 -1.01 119.26 120.48 2pq2 h ALA 109 Ca 0.03 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 2pq2 h ALA 109 Cb 0.00 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.57 2pq2 h ALA 109 CO -0.01 0.18 0.54 0.78 0.00 0.00 0.00 179.25 180.75 2pq2 h GLY 110 N 0.89 1.33 0.65 0.00 0.00 -0.82 0.91 103.07 106.04 2pq2 h GLY 110 Ca 0.42 -0.56 -0.01 0.00 0.00 0.00 0.00 47.33 47.17 2pq2 h GLY 110 CO -0.23 0.54 -0.02 -0.33 0.00 0.00 0.00 176.54 176.50 2pq2 h MET 111 N 1.26 0.11 -0.96 4.80 2.07 -0.63 -2.48 114.93 119.09 2pq2 h MET 111 Ca 0.33 -0.04 0.12 0.00 -2.07 0.00 0.00 59.70 58.04 2pq2 h MET 111 Cb -0.04 -0.00 -0.09 0.00 -1.87 0.00 0.00 31.60 29.60 2pq2 h MET 111 CO -0.06 0.48 0.59 -0.44 1.07 0.00 0.00 176.91 178.55 2pq2 h ASP 112 N -0.27 0.84 -0.16 1.22 3.32 -1.08 -2.29 116.42 118.00 2pq2 h ASP 112 Ca 0.01 0.06 0.03 0.00 0.02 0.00 0.00 57.03 57.15 2pq2 h ASP 112 Cb 0.44 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 39.86 2pq2 h ASP 112 CO 0.01 0.44 -0.01 0.15 -1.72 0.00 0.00 179.24 178.10 2pq2 h PHE 113 N 0.91 -0.04 -0.76 4.55 3.57 -0.68 -2.83 116.94 121.66 2pq2 h PHE 113 Ca 0.49 0.01 0.01 0.00 3.53 0.00 0.00 57.97 62.01 2pq2 h PHE 113 Cb 0.52 0.04 -0.04 0.00 2.79 0.00 0.00 35.95 39.26 2pq2 h PHE 113 CO -0.02 -0.04 0.50 0.28 -2.23 0.00 0.00 178.31 176.80 2pq2 h VAL 114 N 0.03 1.20 -0.85 1.41 2.07 -0.97 0.22 116.25 119.36 2pq2 h VAL 114 Ca 0.08 -0.36 0.10 0.00 0.82 0.00 0.00 66.70 67.34 2pq2 h VAL 114 Cb 0.10 0.08 -0.06 0.00 -1.52 0.00 0.00 31.29 29.89 2pq2 h VAL 114 CO -0.14 0.19 0.55 0.00 0.02 0.00 0.00 177.57 178.19 2pq2 h ALA 115 N 1.28 1.72 0.06 1.67 0.00 -1.20 -2.44 119.26 120.34 2pq2 h ALA 115 Ca 0.28 -0.00 -0.16 0.00 0.00 0.00 0.00 54.91 55.02 2pq2 h ALA 115 Cb -0.12 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.49 2pq2 h ALA 115 CO -0.06 0.10 -0.81 1.03 0.00 0.00 0.00 179.25 179.51 2pq2 h SER 116 N 0.79 0.20 -0.34 0.00 0.87 -1.21 -3.39 113.55 110.47 2pq2 h SER 116 Ca 0.40 -0.85 0.01 0.00 -1.23 0.00 0.00 61.79 60.11 2pq2 h SER 116 Cb 0.46 -0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 62.34 2pq2 h SER 116 CO -0.16 1.35 0.23 -0.78 -0.53 0.00 0.00 176.83 176.93 2pq2 h ASP 117 N -0.68 0.39 -0.07 6.23 3.58 -0.37 -2.32 116.42 123.19 2pq2 h ASP 117 Ca -0.18 -0.01 0.02 0.00 0.42 0.00 0.00 57.03 57.28 2pq2 h ASP 117 Cb 1.40 -0.10 -0.00 0.00 1.72 0.00 0.00 39.33 42.35 2pq2 h ASP 117 CO 0.01 0.28 0.05 0.07 -2.88 0.00 0.00 179.24 176.77 2pq2 h LYS 118 N 0.46 0.00 0.00 0.28 2.10 -1.64 0.60 116.57 118.37 2pq2 h LYS 118 Ca 0.13 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.78 2pq2 h LYS 118 Cb -0.04 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.29 2pq2 h LYS 118 CO -0.03 0.00 0.00 -0.91 -2.00 0.00 0.00 179.45 176.51 2pq2 h ASN 119 N 0.00 0.00 0.01 7.07 -0.26 -1.65 -2.51 115.58 118.24 2pq2 h ASN 119 Ca 0.03 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.77 2pq2 h ASN 119 Cb 0.14 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.40 2pq2 h ASN 119 CO -0.00 0.00 -0.09 0.59 -1.06 0.00 0.00 177.43 176.87 2pq2 n ASN 120 N -2.71 2.10 -4.58 5.81 5.03 0.20 -4.97 115.26 116.14 2pq2 n ASN 120 Ca 0.00 -1.63 -0.30 0.00 0.87 0.00 0.00 54.58 53.52 2pq2 n ASN 120 Cb 0.21 0.07 -0.10 0.00 -1.02 0.00 0.00 39.78 38.94 2pq2 n ASN 120 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 2pq2 s ARG 121 N -2.11 2.17 -0.80 3.52 1.81 -0.94 -5.07 118.95 117.52 2pq2 s ARG 121 Ca 0.30 -1.00 -0.20 0.00 -1.72 0.00 0.00 55.73 53.12 2pq2 s ARG 121 Cb 0.20 -2.32 0.11 0.00 -0.45 0.00 0.00 34.95 32.49 2pq2 s ARG 121 CO 0.37 0.51 1.01 1.21 -0.68 0.00 0.00 175.30 177.72 2pq2 s ASN 122 N -2.17 6.45 -0.53 0.23 2.47 -1.26 -4.91 114.94 115.22 2pq2 s ASN 122 Ca 0.21 -1.70 0.07 0.00 0.42 0.00 0.00 52.86 51.86 2pq2 s ASN 122 Cb -0.11 -2.38 0.24 0.00 -1.45 0.00 0.00 41.25 37.55 2pq2 s ASN 122 CO 0.14 -1.15 0.61 0.00 -3.72 0.00 0.00 177.10 172.98 2pq2 h PRO 124 N 4.27 0.09 -0.00 0.00 0.13 -1.81 -2.22 132.00 132.46 2pq2 h PRO 124 Ca 0.15 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 2pq2 h PRO 124 Cb 0.77 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.88 2pq2 h PRO 124 CO 0.64 0.06 -0.50 1.63 -0.23 0.00 0.00 178.00 179.60 2pq2 n LYS 125 N -4.48 0.05 0.00 0.86 4.76 -0.14 -5.02 118.16 114.20 2pq2 n LYS 125 Ca 0.03 -0.03 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 2pq2 n LYS 125 Cb 0.28 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 31.97 2pq2 n LYS 125 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2pq2 n GLY 126 N 1.49 2.37 3.13 0.72 0.00 -0.84 -4.37 105.19 107.70 2pq2 n GLY 126 Ca 0.06 -2.06 -0.26 0.00 0.00 0.00 0.00 46.02 43.76 2pq2 n GLY 126 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2pq2 s VAL 127 N -1.79 1.39 0.08 1.61 1.01 -1.26 -1.66 120.40 119.78 2pq2 s VAL 127 Ca 0.00 -0.70 0.08 0.00 0.00 0.00 0.00 61.98 61.35 2pq2 s VAL 127 Cb 0.00 -1.19 -0.03 0.00 0.00 0.00 0.00 36.38 35.16 2pq2 s VAL 127 CO 0.00 0.40 -0.20 -0.69 0.00 0.00 0.00 175.10 174.61 2pq2 s VAL 128 N -0.02 1.63 -0.06 2.92 1.01 0.12 -1.29 120.40 124.70 2pq2 s VAL 128 Ca -0.02 -1.39 0.03 0.00 0.00 0.00 0.00 61.98 60.59 2pq2 s VAL 128 Cb -0.11 -1.46 0.01 0.00 0.00 0.00 0.00 36.38 34.82 2pq2 s VAL 128 CO 0.02 0.01 -0.14 0.00 0.00 0.00 0.00 175.10 174.99 2pq2 s ALA 129 N -1.04 1.37 -0.25 5.51 0.00 0.98 -0.45 121.76 127.87 2pq2 s ALA 129 Ca 0.06 -0.50 -0.04 0.00 0.00 0.00 0.00 51.96 51.48 2pq2 s ALA 129 Cb -0.09 -0.58 0.01 0.00 0.00 0.00 0.00 23.12 22.46 2pq2 s ALA 129 CO 0.03 0.15 -0.01 0.45 0.00 0.00 0.00 175.76 176.38 2pq2 s SER 130 N 0.54 4.56 -0.55 0.00 0.15 0.16 -1.13 113.70 117.44 2pq2 s SER 130 Ca -0.13 -0.67 0.01 0.00 0.70 0.00 0.00 55.95 55.85 2pq2 s SER 130 Cb -0.15 -1.75 0.14 0.00 -1.71 0.00 0.00 66.02 62.54 2pq2 s SER 130 CO 0.04 -0.11 0.32 -0.76 1.20 0.00 0.00 173.24 173.92 2pq2 s LEU 131 N 1.43 4.73 -1.28 3.45 1.43 0.10 -2.21 118.68 126.33 2pq2 s LEU 131 Ca 0.03 -2.87 -0.06 0.00 -1.03 0.00 0.00 54.13 50.19 2pq2 s LEU 131 Cb -0.16 -1.73 0.15 0.00 0.03 0.00 0.00 46.19 44.48 2pq2 s LEU 131 CO -0.02 -0.30 2.19 -1.20 0.23 0.00 0.00 176.35 177.25 2pq2 n SER 132 N 3.37 7.29 -3.88 2.29 7.64 -1.26 -1.99 113.62 127.07 2pq2 n SER 132 Ca 0.06 -3.19 -0.08 0.00 1.01 0.00 0.00 58.87 56.66 2pq2 n SER 132 Cb 0.35 -1.37 -0.04 0.00 -1.01 0.00 0.00 64.21 62.15 2pq2 n SER 132 CO 0.00 0.00 0.00 -1.48 -3.01 0.00 0.00 175.04 170.55 2pq2 s LEU 133 N -1.92 0.03 0.00 -3.43 0.05 -1.26 -4.86 118.68 107.30 2pq2 s LEU 133 Ca 0.49 -0.70 0.00 0.00 0.05 0.00 0.00 54.13 53.97 2pq2 s LEU 133 Cb 0.16 2.23 0.00 0.00 -2.05 0.00 0.00 46.19 46.53 2pq2 s LEU 133 CO -0.07 -1.20 0.00 0.61 -0.55 0.00 0.00 176.35 175.14 2pq2 n GLY 134 N -0.40 -0.12 0.00 -3.48 0.00 -1.26 -4.52 105.19 95.41 2pq2 n GLY 134 Ca -0.04 -1.22 0.00 0.00 0.00 0.00 0.00 46.02 44.76 2pq2 n GLY 134 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pq2 n GLY 135 N -0.86 2.73 3.70 -0.02 0.00 -0.63 -4.99 105.19 105.12 2pq2 n GLY 135 Ca 0.00 -0.55 -0.32 0.00 0.00 0.00 0.00 46.02 45.16 2pq2 n GLY 135 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2pq2 s GLY 136 N -0.09 1.82 0.23 -0.02 0.00 -1.26 -1.10 107.32 106.89 2pq2 s GLY 136 Ca 0.00 0.61 -0.31 0.00 0.00 0.00 0.00 44.72 45.02 2pq2 s GLY 136 CO 0.00 1.02 1.31 2.98 0.00 0.00 0.00 173.10 178.41 2pq2 n TYR 137 N -3.85 1.87 -3.66 1.90 9.36 -0.81 -3.88 117.16 118.07 2pq2 n TYR 137 Ca 0.12 0.52 -0.12 0.00 3.32 0.00 0.00 57.90 61.74 2pq2 n TYR 137 Cb 0.52 -2.39 -0.12 0.00 -0.63 0.00 0.00 39.34 36.71 2pq2 n TYR 137 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 2pq2 s SER 138 N 0.14 0.17 0.39 2.98 0.15 -1.26 -4.93 113.70 111.35 2pq2 s SER 138 Ca 0.69 0.69 0.09 0.00 0.70 0.00 0.00 55.95 58.12 2pq2 s SER 138 Cb -0.71 0.85 0.81 0.00 -1.71 0.00 0.00 66.02 65.26 2pq2 s SER 138 CO 0.51 -0.23 1.95 0.77 1.20 0.00 0.00 173.24 177.44 2pq2 h SER 139 N 8.21 0.28 -0.20 5.45 4.64 -1.99 -1.78 113.55 128.16 2pq2 h SER 139 Ca -0.16 -0.04 -0.16 0.00 -0.47 0.00 0.00 61.79 60.96 2pq2 h SER 139 Cb 1.11 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 63.13 2pq2 h SER 139 CO 0.14 0.37 -0.44 0.28 -0.87 0.00 0.00 176.83 176.30 2pq2 h SER 140 N 0.29 0.81 -0.25 4.97 0.02 -1.99 -0.47 113.55 116.94 2pq2 h SER 140 Ca 0.07 -0.39 -0.07 0.00 -0.84 0.00 0.00 61.79 60.56 2pq2 h SER 140 Cb 0.27 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.57 2pq2 h SER 140 CO 0.01 1.14 -0.11 0.58 -1.14 0.00 0.00 176.83 177.31 2pq2 h VAL 141 N 0.61 1.30 -0.69 2.27 2.07 -1.88 -2.09 116.25 117.83 2pq2 h VAL 141 Ca 0.04 -1.18 0.05 0.00 0.82 0.00 0.00 66.70 66.43 2pq2 h VAL 141 Cb 1.00 1.53 -0.05 0.00 -1.52 0.00 0.00 31.29 32.25 2pq2 h VAL 141 CO 0.10 0.37 0.40 0.78 0.02 0.00 0.00 177.57 179.24 2pq2 h ASN 142 N 0.25 0.62 -0.84 0.57 4.21 -1.25 -2.11 115.58 117.02 2pq2 h ASN 142 Ca 0.06 0.02 -0.03 0.00 1.21 0.00 0.00 56.30 57.56 2pq2 h ASN 142 Cb 0.61 -0.10 -0.04 0.00 -1.12 0.00 0.00 38.32 37.67 2pq2 h ASN 142 CO 0.03 0.41 0.42 0.28 -1.29 0.00 0.00 177.43 177.28 2pq2 h SER 143 N 0.75 1.09 -0.59 5.81 0.02 -0.98 -0.87 113.55 118.79 2pq2 h SER 143 Ca 0.30 -0.13 -0.03 0.00 -0.84 0.00 0.00 61.79 61.10 2pq2 h SER 143 Cb 0.14 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 62.38 2pq2 h SER 143 CO -0.16 0.91 0.27 0.00 -1.14 0.00 0.00 176.83 176.71 2pq2 h ALA 144 N 1.22 0.76 -0.76 3.77 0.00 -0.94 0.12 119.26 123.43 2pq2 h ALA 144 Ca 0.29 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 2pq2 h ALA 144 Cb 0.10 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 2pq2 h ALA 144 CO -0.04 0.34 0.28 0.00 0.00 0.00 0.00 179.25 179.83 2pq2 h ALA 145 N 1.10 0.99 -0.61 0.00 0.00 -1.09 -1.71 119.26 117.95 2pq2 h ALA 145 Ca 0.20 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 2pq2 h ALA 145 Cb 0.15 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 2pq2 h ALA 145 CO -0.02 0.64 0.26 0.00 0.00 0.00 0.00 179.25 180.13 2pq2 h ALA 146 N 1.15 0.79 -0.32 0.00 0.00 -0.79 -2.01 119.26 118.07 2pq2 h ALA 146 Ca 0.25 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 55.01 2pq2 h ALA 146 Cb 0.25 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 2pq2 h ALA 146 CO -0.02 0.38 0.20 0.00 0.00 0.00 0.00 179.25 179.81 2pq2 h ARG 147 N 0.84 0.39 -0.42 0.00 3.08 -0.79 -0.62 114.38 116.86 2pq2 h ARG 147 Ca 0.21 -0.02 0.02 0.00 0.07 0.00 0.00 59.98 60.25 2pq2 h ARG 147 Cb 0.17 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.11 2pq2 h ARG 147 CO -0.02 0.26 0.25 1.25 -1.07 0.00 0.00 179.97 180.64 2pq2 h LEU 148 N 0.40 0.41 -0.12 3.04 5.85 -1.12 -0.07 115.31 123.70 2pq2 h LEU 148 Ca 0.12 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.84 2pq2 h LEU 148 Cb -0.02 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 40.92 2pq2 h LEU 148 CO -0.04 0.29 0.07 -0.61 -0.34 0.00 0.00 178.44 177.81 2pq2 h GLN 149 N 0.50 0.16 -0.82 1.25 5.75 -1.27 -2.77 115.11 117.92 2pq2 h GLN 149 Ca 0.17 -0.01 0.12 0.00 -0.15 0.00 0.00 58.65 58.77 2pq2 h GLN 149 Cb 0.00 -0.03 -0.06 0.00 1.07 0.00 0.00 27.48 28.46 2pq2 h GLN 149 CO -0.07 0.14 0.54 1.03 -2.65 0.00 0.00 178.83 177.81 2pq2 h SER 150 N 0.14 0.64 0.44 -0.69 0.87 -0.73 -1.69 113.55 112.53 2pq2 h SER 150 Ca 0.04 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.63 2pq2 h SER 150 Cb 0.02 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 61.87 2pq2 h SER 150 CO -0.01 0.36 0.00 -1.54 -0.53 0.00 0.00 176.83 175.11 2pq2 n SER 151 N -4.52 0.00 0.00 6.23 3.41 -0.07 -4.83 113.62 113.84 2pq2 n SER 151 Ca 0.15 0.49 0.00 0.00 -0.26 0.00 0.00 58.87 59.25 2pq2 n SER 151 Cb 0.39 -0.49 0.00 0.00 -0.26 0.00 0.00 64.21 63.84 2pq2 n SER 151 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2pq2 n GLY 152 N -0.16 1.91 3.37 5.00 0.00 -0.64 -5.10 105.19 109.56 2pq2 n GLY 152 Ca 0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 2pq2 n GLY 152 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2pq2 s VAL 153 N -2.00 2.75 -0.42 1.61 1.01 -1.18 -4.59 120.40 117.58 2pq2 s VAL 153 Ca 0.00 -0.80 -0.29 0.00 0.00 0.00 0.00 61.98 60.89 2pq2 s VAL 153 Cb 0.00 -2.09 0.01 0.00 0.00 0.00 0.00 36.38 34.30 2pq2 s VAL 153 CO 0.00 0.56 1.37 -0.32 0.00 0.00 0.00 175.10 176.71 2pq2 s MET 154 N -0.08 3.59 -0.29 2.72 1.75 -0.41 -4.07 119.30 122.52 2pq2 s MET 154 Ca -0.03 0.88 -0.11 0.00 -1.25 0.00 0.00 55.69 55.18 2pq2 s MET 154 Cb -0.14 -4.01 -0.04 0.00 2.84 0.00 0.00 34.83 33.48 2pq2 s MET 154 CO 0.04 -1.54 0.21 0.08 -0.65 0.00 0.00 175.02 173.16 2pq2 s VAL 155 N 5.30 5.30 -0.15 10.11 1.01 -1.26 -0.01 120.40 140.69 2pq2 s VAL 155 Ca 0.59 0.14 -0.02 0.00 0.00 0.00 0.00 61.98 62.70 2pq2 s VAL 155 Cb -0.13 -3.57 -0.02 0.00 0.00 0.00 0.00 36.38 32.67 2pq2 s VAL 155 CO 0.32 0.21 -0.09 0.00 0.00 0.00 0.00 175.10 175.54 2pq2 s ALA 156 N 1.77 2.74 0.06 5.51 0.00 -0.28 -0.86 121.76 130.71 2pq2 s ALA 156 Ca 0.07 -0.93 0.06 0.00 0.00 0.00 0.00 51.96 51.17 2pq2 s ALA 156 Cb -0.16 -1.39 -0.03 0.00 0.00 0.00 0.00 23.12 21.55 2pq2 s ALA 156 CO 0.11 0.11 -0.17 0.14 0.00 0.00 0.00 175.76 175.95 2pq2 s VAL 157 N 0.57 1.36 0.31 0.00 -7.23 0.26 -0.72 120.40 114.94 2pq2 s VAL 157 Ca -0.06 -1.24 -0.29 0.00 -1.81 0.00 0.00 61.98 58.58 2pq2 s VAL 157 Cb -0.15 -1.24 -0.10 0.00 0.56 0.00 0.00 36.38 35.45 2pq2 s VAL 157 CO 0.03 -0.03 1.21 0.00 -0.31 0.00 0.00 175.10 176.01 2pq2 s ALA 158 N -1.02 3.46 0.33 1.32 0.00 -0.84 -0.84 121.76 124.16 2pq2 s ALA 158 Ca 0.03 1.10 0.15 0.00 0.00 0.00 0.00 51.96 53.24 2pq2 s ALA 158 Cb -0.09 -3.41 0.73 0.00 0.00 0.00 0.00 23.12 20.35 2pq2 s ALA 158 CO 0.02 -0.43 1.80 0.00 0.00 0.00 0.00 175.76 177.16 2pq2 h ALA 159 N 3.58 1.25 0.00 0.00 0.00 -1.40 -3.39 119.26 119.31 2pq2 h ALA 159 Ca -0.48 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.08 2pq2 h ALA 159 Cb 1.22 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.95 2pq2 h ALA 159 CO 0.66 0.48 0.00 0.41 0.00 0.00 0.00 179.25 180.80 2pq2 n GLY 160 N -0.27 2.54 2.20 0.00 0.00 -1.26 -4.69 105.19 103.70 2pq2 n GLY 160 Ca -0.02 -1.93 -0.28 0.00 0.00 0.00 0.00 46.02 43.79 2pq2 n GLY 160 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2pq2 n ASN 161 N 0.00 5.79 -0.99 1.61 3.02 -1.26 -1.04 115.26 122.38 2pq2 n ASN 161 Ca 0.00 -3.76 0.10 0.00 -0.03 0.00 0.00 54.58 50.89 2pq2 n ASN 161 Cb 0.00 -0.56 0.18 0.00 -0.61 0.00 0.00 39.78 38.79 2pq2 n ASN 161 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2pq2 n ASN 162 N -0.73 3.20 -4.06 6.41 3.02 -1.08 -4.78 115.26 117.24 2pq2 n ASN 162 Ca 0.49 -1.92 -0.28 0.00 -0.03 0.00 0.00 54.58 52.83 2pq2 n ASN 162 Cb 0.82 -0.21 -0.03 0.00 -0.61 0.00 0.00 39.78 39.74 2pq2 n ASN 162 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 2pq2 n ASN 163 N 1.25 -0.72 -3.89 6.41 5.15 -0.27 -4.95 115.26 118.25 2pq2 n ASN 163 Ca 0.17 -1.05 -0.14 0.00 -0.60 0.00 0.00 54.58 52.95 2pq2 n ASN 163 Cb 0.54 -2.77 -0.09 0.00 -0.53 0.00 0.00 39.78 36.93 2pq2 n ASN 163 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2pq2 s ALA 164 N -3.89 1.29 0.01 5.20 0.00 -1.26 -4.94 121.76 118.17 2pq2 s ALA 164 Ca 0.15 -1.76 -0.30 0.00 0.00 0.00 0.00 51.96 50.05 2pq2 s ALA 164 Cb -0.08 1.39 -0.06 0.00 0.00 0.00 0.00 23.12 24.36 2pq2 s ALA 164 CO 0.91 -0.64 1.53 0.34 0.00 0.00 0.00 175.76 177.90 2pq2 s ASP 165 N -3.22 6.74 0.00 0.00 -1.08 -1.26 -1.38 116.67 116.46 2pq2 s ASP 165 Ca 0.38 2.26 0.12 0.00 -0.52 0.00 0.00 52.55 54.79 2pq2 s ASP 165 Cb 0.05 -2.56 0.56 0.00 -1.46 0.00 0.00 42.92 39.51 2pq2 s ASP 165 CO 0.17 -0.81 1.32 0.00 0.52 0.00 0.00 175.17 176.37 2pq2 n ALA 166 N 5.72 1.64 0.32 3.66 0.00 -0.08 -3.04 120.51 128.73 2pq2 n ALA 166 Ca 0.15 -0.05 0.21 0.00 0.00 0.00 0.00 53.44 53.75 2pq2 n ALA 166 Cb 0.42 -1.19 1.11 0.00 0.00 0.00 0.00 19.45 19.79 2pq2 n ALA 166 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 2pq2 h ARG 167 N 0.00 0.00 -0.64 0.00 0.11 -1.90 -1.92 114.38 110.02 2pq2 h ARG 167 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2pq2 h ARG 167 Cb 0.15 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.23 2pq2 h ARG 167 CO 0.00 0.01 0.00 0.09 0.10 0.00 0.00 179.97 180.17 2pq2 n ASN 168 N -3.19 4.44 -4.11 0.08 5.03 -1.17 -4.83 115.26 111.51 2pq2 n ASN 168 Ca -0.03 -2.45 -0.15 0.00 0.87 0.00 0.00 54.58 52.83 2pq2 n ASN 168 Cb 0.11 -0.56 -0.11 0.00 -1.02 0.00 0.00 39.78 38.19 2pq2 n ASN 168 CO 0.00 0.00 0.00 -0.31 -1.83 0.00 0.00 177.26 175.12 2pq2 s TYR 169 N -1.90 0.87 0.02 3.10 2.02 -0.72 -1.93 117.35 118.81 2pq2 s TYR 169 Ca 0.46 -0.51 0.03 0.00 -0.37 0.00 0.00 57.07 56.68 2pq2 s TYR 169 Cb 0.30 -0.50 -0.02 0.00 -0.40 0.00 0.00 41.96 41.35 2pq2 s TYR 169 CO 0.21 -0.04 -0.09 -1.54 -1.57 0.00 0.00 175.55 172.53 2pq2 s SER 170 N -1.74 1.05 0.00 2.29 1.04 -0.26 -0.95 113.70 115.12 2pq2 s SER 170 Ca -0.06 -0.34 0.07 0.00 0.48 0.00 0.00 55.95 56.10 2pq2 s SER 170 Cb -0.09 -0.06 0.38 0.00 0.10 0.00 0.00 66.02 66.35 2pq2 s SER 170 CO 0.01 -0.01 1.25 -0.81 0.98 0.00 0.00 173.24 174.65 2pq2 n PRO 171 N 2.21 1.05 -0.34 4.02 -0.04 -1.26 -1.60 135.00 139.04 2pq2 n PRO 171 Ca -0.17 -0.07 0.18 0.00 -0.04 0.00 0.00 63.50 63.40 2pq2 n PRO 171 Cb 0.56 -1.11 0.41 0.00 -0.04 0.00 0.00 33.50 33.32 2pq2 n PRO 171 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2pq2 h ALA 172 N 3.23 1.91 -0.00 0.55 0.00 -1.75 -2.00 119.26 121.20 2pq2 h ALA 172 Ca 0.00 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2pq2 h ALA 172 Cb 0.03 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.82 2pq2 h ALA 172 CO 0.00 -0.35 -0.04 -1.13 0.00 0.00 0.00 179.25 177.74 2pq2 n SER 173 N -4.78 0.31 -4.63 0.00 3.41 -0.13 -4.77 113.62 103.03 2pq2 n SER 173 Ca 0.26 -0.70 -0.43 0.00 -0.26 0.00 0.00 58.87 57.74 2pq2 n SER 173 Cb 0.76 -0.09 -0.02 0.00 -0.26 0.00 0.00 64.21 64.59 2pq2 n SER 173 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 2pq2 s GLU 174 N -2.30 3.90 0.37 4.33 2.56 -0.75 -4.92 118.70 121.89 2pq2 s GLU 174 Ca 0.36 1.45 0.07 0.00 0.00 0.00 0.00 54.97 56.85 2pq2 s GLU 174 Cb 0.21 -3.93 0.73 0.00 2.00 0.00 0.00 34.13 33.14 2pq2 s GLU 174 CO 0.42 -1.15 1.93 -1.35 -0.56 0.00 0.00 175.26 174.56 2pq2 h PRO 175 N 9.75 0.41 0.00 4.30 0.11 -1.89 -3.17 132.00 141.50 2pq2 h PRO 175 Ca -0.29 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.74 2pq2 h PRO 175 Cb 1.12 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.16 2pq2 h PRO 175 CO 1.02 0.44 0.00 -1.13 -0.21 0.00 0.00 178.00 178.11 2pq2 n SER 176 N -4.32 0.56 -4.78 -2.05 3.41 -1.26 -4.78 113.62 100.40 2pq2 n SER 176 Ca 0.01 0.61 -0.21 0.00 -0.26 0.00 0.00 58.87 59.02 2pq2 n SER 176 Cb 0.21 -0.74 0.09 0.00 -0.26 0.00 0.00 64.21 63.51 2pq2 n SER 176 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 2pq2 n VAL 177 N -2.09 0.00 -3.49 -3.33 0.24 -1.20 -4.99 118.33 103.47 2pq2 n VAL 177 Ca 0.03 -1.79 -0.43 0.00 -2.04 0.00 0.00 64.34 60.12 2pq2 n VAL 177 Cb 0.27 -0.67 -0.09 0.00 -1.47 0.00 0.00 33.84 31.88 2pq2 n VAL 177 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2pq2 s THR 179 N 1.54 5.16 -0.22 0.00 2.01 -1.26 -0.58 115.64 122.29 2pq2 s THR 179 Ca 0.04 0.78 -0.02 0.00 0.31 0.00 0.00 61.69 62.79 2pq2 s THR 179 Cb -0.24 -3.76 0.01 0.00 0.01 0.00 0.00 72.50 68.52 2pq2 s THR 179 CO 0.05 0.21 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.42 2pq2 s VAL 180 N 1.51 2.87 0.67 3.82 1.01 -0.02 -1.36 120.40 128.90 2pq2 s VAL 180 Ca 0.20 -0.82 -0.03 0.00 0.00 0.00 0.00 61.98 61.33 2pq2 s VAL 180 Cb -0.15 -2.36 0.08 0.00 0.00 0.00 0.00 36.38 33.95 2pq2 s VAL 180 CO 0.09 0.35 0.94 -0.83 0.00 0.00 0.00 175.10 175.65 2pq2 s GLY 181 N 1.37 1.76 0.02 4.51 0.00 -0.36 -1.11 107.32 113.52 2pq2 s GLY 181 Ca 0.03 -1.32 0.07 0.00 0.00 0.00 0.00 44.72 43.50 2pq2 s GLY 181 CO -0.06 -0.89 -0.20 0.00 0.00 0.00 0.00 173.10 171.95 2pq2 s ALA 182 N -3.08 2.49 0.27 3.20 0.00 -1.26 -1.22 121.76 122.15 2pq2 s ALA 182 Ca 0.62 -1.16 0.06 0.00 0.00 0.00 0.00 51.96 51.48 2pq2 s ALA 182 Cb -0.09 -0.71 -0.06 0.00 0.00 0.00 0.00 23.12 22.27 2pq2 s ALA 182 CO 0.43 0.56 -0.06 -1.54 0.00 0.00 0.00 175.76 175.14 2pq2 s SER 183 N -1.17 2.66 0.55 0.00 1.04 -0.32 -0.85 113.70 115.61 2pq2 s SER 183 Ca 0.13 -1.18 0.07 0.00 0.48 0.00 0.00 55.95 55.45 2pq2 s SER 183 Cb -0.10 -0.15 0.05 0.00 0.10 0.00 0.00 66.02 65.92 2pq2 s SER 183 CO 0.03 -0.34 0.50 1.51 0.98 0.00 0.00 173.24 175.92 2pq2 s ASP 184 N -3.42 4.76 0.26 7.02 1.47 0.06 -0.93 116.67 125.90 2pq2 s ASP 184 Ca 0.29 -1.13 0.22 0.00 1.18 0.00 0.00 52.55 53.11 2pq2 s ASP 184 Cb 0.03 0.35 1.00 0.00 -0.34 0.00 0.00 42.92 43.96 2pq2 s ASP 184 CO 0.11 -1.15 1.67 -2.11 0.68 0.00 0.00 175.17 174.38 2pq2 n ARG 185 N -1.87 0.17 -0.67 2.11 1.85 -1.26 -1.46 116.66 115.52 2pq2 n ARG 185 Ca 0.03 0.48 0.09 0.00 -1.00 0.00 0.00 57.85 57.45 2pq2 n ARG 185 Cb 0.63 -1.88 0.37 0.00 -1.05 0.00 0.00 32.46 30.54 2pq2 n ARG 185 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 2pq2 n TYR 186 N -2.20 1.61 -2.76 2.89 4.01 -1.26 -4.46 117.16 114.99 2pq2 n TYR 186 Ca 0.01 -0.62 -0.19 0.00 -0.16 0.00 0.00 57.90 56.94 2pq2 n TYR 186 Cb 0.17 -0.29 0.02 0.00 -0.31 0.00 0.00 39.34 38.92 2pq2 n TYR 186 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 2pq2 n ASP 187 N 1.07 -5.43 -4.90 7.72 8.00 -0.53 -4.92 116.55 117.57 2pq2 n ASP 187 Ca 0.26 -0.18 -0.33 0.00 0.71 0.00 0.00 54.79 55.25 2pq2 n ASP 187 Cb 0.95 -4.32 -0.05 0.00 -0.02 0.00 0.00 41.12 37.68 2pq2 n ASP 187 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 2pq2 s ARG 188 N -5.36 3.41 0.19 -1.24 0.52 -1.26 -1.15 118.95 114.06 2pq2 s ARG 188 Ca 0.19 -0.37 -0.33 0.00 -0.52 0.00 0.00 55.73 54.71 2pq2 s ARG 188 Cb -0.08 -3.06 -0.13 0.00 0.52 0.00 0.00 34.95 32.19 2pq2 s ARG 188 CO 0.23 0.66 1.56 -2.13 0.02 0.00 0.00 175.30 175.64 2pq2 n ARG 189 N 0.79 2.22 -1.72 3.54 0.63 -0.72 -0.76 116.66 120.65 2pq2 n ARG 189 Ca -0.09 0.80 -0.42 0.00 -0.92 0.00 0.00 57.85 57.21 2pq2 n ARG 189 Cb 0.52 -2.55 -0.01 0.00 0.45 0.00 0.00 32.46 30.87 2pq2 n ARG 189 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 2pq2 n SER 190 N 3.11 3.03 0.30 6.15 7.64 -0.03 -4.76 113.62 129.06 2pq2 n SER 190 Ca 0.15 1.21 0.16 0.00 1.01 0.00 0.00 58.87 61.40 2pq2 n SER 190 Cb 0.30 -1.52 0.94 0.00 -1.01 0.00 0.00 64.21 62.93 2pq2 n SER 190 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 2pq2 h SER 191 N 2.78 0.00 0.45 6.43 4.64 -1.91 -1.37 113.55 124.57 2pq2 h SER 191 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 2pq2 h SER 191 Cb 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 2pq2 h SER 191 CO 0.64 0.00 -1.10 2.22 -0.87 0.00 0.00 176.83 177.72 2pq2 n PHE 192 N -3.79 0.31 -1.89 4.77 1.16 -1.26 -4.68 117.46 112.07 2pq2 n PHE 192 Ca -0.03 0.09 -0.42 0.00 -1.87 0.00 0.00 57.45 55.22 2pq2 n PHE 192 Cb 0.08 -0.48 -0.03 0.00 -1.61 0.00 0.00 39.48 37.44 2pq2 n PHE 192 CO 0.00 0.00 0.00 0.45 -1.87 0.00 0.00 176.76 175.34 2pq2 s SER 193 N -4.09 6.54 0.89 5.98 0.15 -0.52 -1.11 113.70 121.54 2pq2 s SER 193 Ca 0.02 2.70 -0.10 0.00 0.70 0.00 0.00 55.95 59.27 2pq2 s SER 193 Cb 0.14 -2.60 0.13 0.00 -1.71 0.00 0.00 66.02 61.98 2pq2 s SER 193 CO 0.81 -0.84 1.13 0.20 1.20 0.00 0.00 173.24 175.74 2pq2 s ASN 194 N 0.97 3.18 0.00 5.45 0.02 -0.21 -4.05 114.94 120.30 2pq2 s ASN 194 Ca 0.69 2.08 0.00 0.00 -1.02 0.00 0.00 52.86 54.60 2pq2 s ASN 194 Cb -0.45 -2.54 0.00 0.00 0.02 0.00 0.00 41.25 38.28 2pq2 s ASN 194 CO 0.35 -2.92 0.00 0.00 0.02 0.00 0.00 177.10 174.55 2pq2 n TYR 195 N -4.11 -0.03 0.00 2.20 0.18 -0.48 -4.78 117.16 110.15 2pq2 n TYR 195 Ca 0.11 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.89 2pq2 n TYR 195 Cb 0.52 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.48 2pq2 n TYR 195 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 2pq2 n GLY 196 N 0.00 2.00 0.29 -7.48 0.00 -1.26 -0.91 105.19 97.83 2pq2 n GLY 196 Ca 0.00 -2.19 0.16 0.00 0.00 0.00 0.00 46.02 43.99 2pq2 n GLY 196 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2pq2 h SER 197 N 0.00 0.00 1.46 1.61 4.64 -1.96 -2.57 113.55 116.73 2pq2 h SER 197 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2pq2 h SER 197 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2pq2 h SER 197 CO 0.00 0.06 0.00 1.62 -0.87 0.00 0.00 176.83 177.64 2pq2 h VAL 198 N 0.00 0.00 -3.63 0.95 3.04 -1.89 -3.45 116.25 111.27 2pq2 h VAL 198 Ca -0.00 -0.61 -0.53 0.00 -1.01 0.00 0.00 66.70 64.56 2pq2 h VAL 198 Cb 0.28 1.56 0.07 0.00 -2.01 0.00 0.00 31.29 31.19 2pq2 h VAL 198 CO 0.01 0.00 0.73 -0.76 -1.01 0.00 0.00 177.57 176.54 2pq2 s LEU 199 N -5.28 4.39 -0.19 3.16 1.02 -0.97 -4.60 118.68 116.21 2pq2 s LEU 199 Ca 0.07 2.75 0.13 0.00 0.02 0.00 0.00 54.13 57.10 2pq2 s LEU 199 Cb 0.09 -3.64 -0.21 0.00 0.02 0.00 0.00 46.19 42.45 2pq2 s LEU 199 CO 0.58 -0.69 0.01 0.47 0.02 0.00 0.00 176.35 176.74 2pq2 n ASP 200 N 1.54 0.91 -3.51 2.29 8.00 -0.46 -4.64 116.55 120.67 2pq2 n ASP 200 Ca 0.04 -0.03 -0.11 0.00 0.71 0.00 0.00 54.79 55.40 2pq2 n ASP 200 Cb 0.40 0.67 -0.04 0.00 -0.02 0.00 0.00 41.12 42.14 2pq2 n ASP 200 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 2pq2 s ILE 201 N -2.44 0.00 0.06 0.53 1.10 -1.16 -4.78 121.20 114.50 2pq2 s ILE 201 Ca -0.13 0.00 0.06 0.00 -0.51 0.00 0.00 60.65 60.06 2pq2 s ILE 201 Cb 0.06 -1.00 -0.04 0.00 0.15 0.00 0.00 42.46 41.63 2pq2 s ILE 201 CO 0.69 0.00 -0.09 -0.36 -2.11 0.00 0.00 174.94 173.07 2pq2 s PHE 202 N -2.33 2.78 0.16 3.50 0.40 -0.10 -1.22 117.98 121.17 2pq2 s PHE 202 Ca -0.01 -0.12 0.01 0.00 -0.60 0.00 0.00 56.93 56.21 2pq2 s PHE 202 Cb -0.01 -1.51 -0.04 0.00 0.51 0.00 0.00 43.02 41.97 2pq2 s PHE 202 CO -0.03 0.38 0.02 0.20 0.70 0.00 0.00 175.22 176.49 2pq2 s GLY 203 N -1.81 1.17 0.08 4.36 0.00 -0.36 -1.20 107.32 109.57 2pq2 s GLY 203 Ca 0.19 -1.57 -0.33 0.00 0.00 0.00 0.00 44.72 43.01 2pq2 s GLY 203 CO 0.10 -1.48 1.74 -1.05 0.00 0.00 0.00 173.10 172.42 2pq2 n PRO 204 N -0.21 2.38 0.00 2.90 -0.02 -1.26 -1.17 135.00 137.62 2pq2 n PRO 204 Ca -0.06 0.86 0.00 0.00 -2.02 0.00 0.00 63.50 62.29 2pq2 n PRO 204 Cb 0.63 -2.70 0.00 0.00 -0.02 0.00 0.00 33.50 31.42 2pq2 n PRO 204 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2pq2 n GLY 205 N 3.95 0.81 3.66 -1.23 0.00 -0.10 -3.10 105.19 109.17 2pq2 n GLY 205 Ca 0.19 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.85 2pq2 n GLY 205 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2pq2 s THR 206 N -0.12 5.18 -1.04 2.61 2.01 -1.06 -0.70 115.64 122.53 2pq2 s THR 206 Ca 0.00 0.11 -0.08 0.00 0.31 0.00 0.00 61.69 62.04 2pq2 s THR 206 Cb 0.00 -3.39 -0.05 0.00 0.01 0.00 0.00 72.50 69.07 2pq2 s THR 206 CO 0.00 0.40 0.88 0.47 -0.69 0.00 0.00 174.62 175.68 2pq2 n ASP 207 N 3.94 -6.54 -4.53 3.53 10.43 -1.24 -4.68 116.55 117.47 2pq2 n ASP 207 Ca -0.16 -0.71 -0.40 0.00 2.57 0.00 0.00 54.79 56.10 2pq2 n ASP 207 Cb 0.52 -4.92 -0.11 0.00 1.84 0.00 0.00 41.12 38.45 2pq2 n ASP 207 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 2pq2 s ILE 208 N -3.37 5.22 -0.06 0.53 -1.09 -0.32 -4.85 121.20 117.25 2pq2 s ILE 208 Ca 0.42 -0.19 -0.28 0.00 -2.23 0.00 0.00 60.65 58.37 2pq2 s ILE 208 Cb -0.07 -3.65 -0.02 0.00 -1.58 0.00 0.00 42.46 37.13 2pq2 s ILE 208 CO 0.76 0.03 0.93 -0.22 -1.23 0.00 0.00 174.94 175.21 2pq2 s LEU 209 N 1.72 4.30 0.00 2.97 2.96 -1.26 -2.12 118.68 127.24 2pq2 s LEU 209 Ca 0.06 1.50 -0.05 0.00 -0.22 0.00 0.00 54.13 55.42 2pq2 s LEU 209 Cb -0.17 -3.46 0.02 0.00 0.50 0.00 0.00 46.19 43.08 2pq2 s LEU 209 CO 0.10 -0.31 0.33 -0.24 -1.32 0.00 0.00 176.35 174.91 2pq2 n SER 210 N 4.38 -0.96 -4.77 3.68 2.88 -0.79 -4.89 113.62 113.15 2pq2 n SER 210 Ca 0.06 -1.88 -0.34 0.00 -1.33 0.00 0.00 58.87 55.38 2pq2 n SER 210 Cb 0.50 1.66 0.03 0.00 -0.75 0.00 0.00 64.21 65.65 2pq2 n SER 210 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 2pq2 s THR 211 N -2.58 3.17 0.13 2.46 -4.23 -1.26 -1.66 115.64 111.67 2pq2 s THR 211 Ca 0.11 0.60 -0.02 0.00 -1.18 0.00 0.00 61.69 61.20 2pq2 s THR 211 Cb -0.02 -3.15 -0.04 0.00 1.34 0.00 0.00 72.50 70.64 2pq2 s THR 211 CO 0.08 -0.28 0.09 0.86 -0.54 0.00 0.00 174.62 174.83 2pq2 s TRP 212 N -2.13 0.79 0.83 3.99 -0.11 0.54 -2.82 118.94 120.03 2pq2 s TRP 212 Ca 0.69 -1.16 -0.10 0.00 1.22 0.00 0.00 56.10 56.75 2pq2 s TRP 212 Cb -0.22 -0.41 0.09 0.00 -1.50 0.00 0.00 33.47 31.43 2pq2 s TRP 212 CO 0.37 -0.55 1.12 0.96 -4.62 0.00 0.00 176.95 174.23 2pq2 s ILE 213 N -4.03 2.75 -0.85 5.86 -4.36 -1.26 -2.21 121.20 117.10 2pq2 s ILE 213 Ca 0.23 0.25 0.00 0.00 -0.26 0.00 0.00 60.65 60.87 2pq2 s ILE 213 Cb 0.07 -2.53 0.00 0.00 1.25 0.00 0.00 42.46 41.25 2pq2 s ILE 213 CO 0.01 -0.32 0.00 0.61 0.24 0.00 0.00 174.94 175.49 2pq2 n GLY 214 N -0.55 0.54 2.68 6.27 0.00 -1.26 -3.41 105.19 109.45 2pq2 n GLY 214 Ca 0.10 -0.58 -0.19 0.00 0.00 0.00 0.00 46.02 45.36 2pq2 n GLY 214 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pq2 n GLY 215 N -1.46 -0.36 0.40 -0.02 0.00 -1.22 -5.00 105.19 97.53 2pq2 n GLY 215 Ca -0.10 -0.04 -0.03 0.00 0.00 0.00 0.00 46.02 45.85 2pq2 n GLY 215 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2pq2 n SER 216 N -1.77 1.50 -4.05 1.61 3.41 -0.94 -4.96 113.62 108.42 2pq2 n SER 216 Ca -0.14 -1.21 -0.09 0.00 -0.26 0.00 0.00 58.87 57.17 2pq2 n SER 216 Cb 0.62 0.01 -0.11 0.00 -0.26 0.00 0.00 64.21 64.48 2pq2 n SER 216 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2pq2 s THR 217 N -0.58 0.28 0.16 6.66 -4.23 -1.26 -0.34 115.64 116.33 2pq2 s THR 217 Ca 0.02 -1.36 -0.23 0.00 -1.18 0.00 0.00 61.69 58.93 2pq2 s THR 217 Cb -0.00 -0.91 0.06 0.00 1.34 0.00 0.00 72.50 72.99 2pq2 s THR 217 CO 0.01 -0.70 0.69 0.00 -0.54 0.00 0.00 174.62 174.08 2pq2 s ARG 218 N -2.60 1.33 -0.23 3.99 1.70 -0.66 -4.82 118.95 117.66 2pq2 s ARG 218 Ca -0.04 -0.57 -0.09 0.00 -0.47 0.00 0.00 55.73 54.56 2pq2 s ARG 218 Cb -0.02 0.56 -0.04 0.00 -0.57 0.00 0.00 34.95 34.87 2pq2 s ARG 218 CO -0.04 -0.59 0.12 0.45 -1.08 0.00 0.00 175.30 174.16 2pq2 s SER 219 N -2.76 5.75 0.20 -2.89 0.15 -1.26 -1.89 113.70 110.99 2pq2 s SER 219 Ca 0.04 0.01 0.00 0.00 0.70 0.00 0.00 55.95 56.71 2pq2 s SER 219 Cb -0.02 -2.03 -0.04 0.00 -1.71 0.00 0.00 66.02 62.22 2pq2 s SER 219 CO -0.07 0.06 0.07 0.27 1.20 0.00 0.00 173.24 174.77 2pq2 s ILE 220 N 1.09 0.35 0.07 6.45 -4.36 -0.90 -4.84 121.20 119.07 2pq2 s ILE 220 Ca 0.06 -1.98 0.07 0.00 -0.26 0.00 0.00 60.65 58.55 2pq2 s ILE 220 Cb -0.14 -2.35 -0.03 0.00 1.25 0.00 0.00 42.46 41.19 2pq2 s ILE 220 CO 0.04 -0.22 -0.20 -0.44 0.24 0.00 0.00 174.94 174.36 2pq2 s SER 221 N -3.18 2.41 0.00 4.36 0.01 -1.26 -1.18 113.70 114.85 2pq2 s SER 221 Ca 0.32 -0.60 0.00 0.00 1.31 0.00 0.00 55.95 56.98 2pq2 s SER 221 Cb 0.07 -0.16 0.00 0.00 0.21 0.00 0.00 66.02 66.14 2pq2 s SER 221 CO 0.08 0.09 0.00 0.61 0.41 0.00 0.00 173.24 174.44 2pq2 n GLY 222 N 1.48 2.77 0.30 3.44 0.00 0.13 -4.88 105.19 108.42 2pq2 n GLY 222 Ca -0.18 -1.10 0.19 0.00 0.00 0.00 0.00 46.02 44.92 2pq2 n GLY 222 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2pq2 h THR 223 N 1.00 0.06 -0.38 2.61 1.35 -1.86 -1.30 112.91 114.39 2pq2 h THR 223 Ca 0.00 -0.35 0.08 0.00 -0.55 0.00 0.00 66.41 65.59 2pq2 h THR 223 Cb 0.00 1.33 -0.02 0.00 -1.73 0.00 0.00 68.15 67.73 2pq2 h THR 223 CO 0.00 0.01 0.26 0.28 -0.25 0.00 0.00 175.52 175.83 2pq2 h SER 224 N 0.00 0.16 0.78 5.36 0.02 -1.90 -1.86 113.55 116.11 2pq2 h SER 224 Ca -0.00 0.00 -0.22 0.00 -0.84 0.00 0.00 61.79 60.73 2pq2 h SER 224 Cb 0.33 -0.03 -0.04 0.00 0.14 0.00 0.00 62.40 62.80 2pq2 h SER 224 CO 0.00 0.10 -1.33 0.24 -1.14 0.00 0.00 176.83 174.71 2pq2 h MET 225 N 0.18 0.00 -0.18 3.45 2.86 -1.53 -3.36 114.93 116.36 2pq2 h MET 225 Ca 0.18 0.00 -0.21 0.00 -2.06 0.00 0.00 59.70 57.60 2pq2 h MET 225 Cb 0.46 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.13 2pq2 h MET 225 CO -0.03 0.57 -0.72 0.00 1.06 0.00 0.00 176.91 177.79 2pq2 h ALA 226 N 1.16 0.37 -0.14 6.32 0.00 -1.38 -3.34 119.26 122.25 2pq2 h ALA 226 Ca -0.16 -0.58 0.05 0.00 0.00 0.00 0.00 54.91 54.22 2pq2 h ALA 226 Cb 1.78 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 19.49 2pq2 h ALA 226 CO 0.08 0.69 -0.19 1.15 0.00 0.00 0.00 179.25 180.98 2pq2 h THR 227 N 0.55 0.52 0.00 0.00 2.02 -1.49 -2.16 112.91 112.36 2pq2 h THR 227 Ca -0.03 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.13 2pq2 h THR 227 Cb 1.34 0.52 -0.00 0.00 -1.74 0.00 0.00 68.15 68.27 2pq2 h THR 227 CO 0.15 0.00 -0.06 1.55 0.37 0.00 0.00 175.52 177.53 2pq2 h PRO 228 N -0.23 0.00 -0.33 6.66 0.13 -1.72 -0.35 132.00 136.15 2pq2 h PRO 228 Ca 0.10 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.23 2pq2 h PRO 228 Cb 0.38 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.49 2pq2 h PRO 228 CO -0.27 0.06 0.20 0.45 -0.23 0.00 0.00 178.00 178.20 2pq2 h HIS 229 N 0.00 0.43 -0.25 1.56 3.86 -1.52 0.74 115.15 119.97 2pq2 h HIS 229 Ca -0.00 0.00 -0.10 0.00 -1.16 0.00 0.00 60.37 59.11 2pq2 h HIS 229 Cb 0.15 -0.14 -0.00 0.00 1.06 0.00 0.00 27.41 28.48 2pq2 h HIS 229 CO 0.00 0.31 -0.25 0.28 0.86 0.00 0.00 177.93 179.13 2pq2 h VAL 230 N 0.43 1.31 -0.32 2.45 2.07 -1.22 -0.69 116.25 120.28 2pq2 h VAL 230 Ca 0.12 -1.41 0.02 0.00 0.82 0.00 0.00 66.70 66.24 2pq2 h VAL 230 Cb 0.00 1.65 -0.02 0.00 -1.52 0.00 0.00 31.29 31.40 2pq2 h VAL 230 CO -0.02 0.44 0.18 0.00 0.02 0.00 0.00 177.57 178.19 2pq2 h ALA 231 N 0.68 0.40 -0.51 1.67 0.00 -1.05 0.21 119.26 120.67 2pq2 h ALA 231 Ca 0.04 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2pq2 h ALA 231 Cb 0.80 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 2pq2 h ALA 231 CO 0.06 -0.18 0.32 0.78 0.00 0.00 0.00 179.25 180.23 2pq2 h GLY 232 N 0.38 0.73 0.93 0.00 0.00 -0.84 -2.17 103.07 102.10 2pq2 h GLY 232 Ca 0.13 -0.29 0.02 0.00 0.00 0.00 0.00 47.33 47.19 2pq2 h GLY 232 CO -0.07 0.28 0.44 -2.00 0.00 0.00 0.00 176.54 175.20 2pq2 h LEU 233 N 0.68 0.75 -0.23 3.11 5.85 -0.78 -0.71 115.31 123.97 2pq2 h LEU 233 Ca 0.18 -0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.93 2pq2 h LEU 233 Cb -0.04 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 40.78 2pq2 h LEU 233 CO -0.04 0.53 0.04 0.00 -0.34 0.00 0.00 178.44 178.64 2pq2 h ALA 234 N 1.28 0.24 -0.63 1.25 0.00 -0.74 0.25 119.26 120.90 2pq2 h ALA 234 Ca 0.27 0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.24 2pq2 h ALA 234 Cb -0.04 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 2pq2 h ALA 234 CO -0.08 -0.38 0.41 0.00 0.00 0.00 0.00 179.25 179.20 2pq2 h ALA 235 N 1.17 0.81 -0.44 0.00 0.00 -1.09 -0.22 119.26 119.49 2pq2 h ALA 235 Ca 0.11 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.01 2pq2 h ALA 235 Cb 0.11 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 2pq2 h ALA 235 CO -0.14 0.19 0.24 -0.92 0.00 0.00 0.00 179.25 178.62 2pq2 h TYR 236 N 0.81 0.45 -0.08 0.00 3.20 -0.78 -2.01 116.97 118.57 2pq2 h TYR 236 Ca 0.24 0.02 -0.15 0.00 3.14 0.00 0.00 58.73 61.98 2pq2 h TYR 236 Cb -0.04 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.08 2pq2 h TYR 236 CO -0.04 0.24 -0.60 -0.07 -1.64 0.00 0.00 178.16 176.05 2pq2 h LEU 237 N 0.48 0.30 -0.49 2.82 3.38 -0.53 -2.68 115.31 118.60 2pq2 h LEU 237 Ca 0.18 -0.17 -0.13 0.00 0.09 0.00 0.00 57.88 57.85 2pq2 h LEU 237 Cb 0.05 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 2pq2 h LEU 237 CO -0.11 0.83 -0.22 0.24 0.09 0.00 0.00 178.44 179.27 2pq2 h MET 238 N 0.20 1.00 -0.76 1.13 2.86 -0.93 -1.74 114.93 116.69 2pq2 h MET 238 Ca -0.01 -0.43 -0.01 0.00 -2.06 0.00 0.00 59.70 57.19 2pq2 h MET 238 Cb 1.11 -0.03 -0.04 0.00 0.06 0.00 0.00 31.60 32.70 2pq2 h MET 238 CO 0.10 1.11 0.42 1.15 1.06 0.00 0.00 176.91 180.75 2pq2 h THR 239 N 0.86 1.22 0.00 2.22 2.02 -1.29 -1.47 112.91 116.47 2pq2 h THR 239 Ca 0.11 -0.54 0.00 0.00 0.77 0.00 0.00 66.41 66.75 2pq2 h THR 239 Cb 0.80 0.19 0.00 0.00 -1.74 0.00 0.00 68.15 67.40 2pq2 h THR 239 CO 0.07 0.24 0.00 0.18 0.37 0.00 0.00 175.52 176.38 2pq2 n LEU 240 N -4.36 0.36 -0.01 2.58 4.77 -1.02 -4.90 117.00 114.42 2pq2 n LEU 240 Ca 0.08 0.57 -0.00 0.00 -0.03 0.00 0.00 56.01 56.63 2pq2 n LEU 240 Cb 0.09 -0.50 -0.00 0.00 -2.33 0.00 0.00 43.42 40.68 2pq2 n LEU 240 CO 0.38 -0.31 -0.00 0.61 -1.33 0.00 0.00 177.39 176.74 2pq2 n GLY 241 N 0.44 0.44 0.15 -0.72 0.00 -0.55 -4.94 105.19 100.01 2pq2 n GLY 241 Ca 0.04 -0.64 0.02 0.00 0.00 0.00 0.00 46.02 45.44 2pq2 n GLY 241 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2pq2 h LYS 242 N 0.41 0.00 -3.41 1.61 1.79 -1.56 -3.48 116.57 111.93 2pq2 h LYS 242 Ca -0.00 0.00 -0.04 0.00 -2.18 0.00 0.00 60.65 58.42 2pq2 h LYS 242 Cb 0.01 0.00 -0.06 0.00 -1.58 0.00 0.00 32.23 30.60 2pq2 h LYS 242 CO 0.00 0.54 0.04 -0.08 -1.08 0.00 0.00 179.45 178.88 2pq2 s THR 243 N -3.23 0.00 0.42 -0.16 -1.32 -1.25 -5.04 115.64 105.06 2pq2 s THR 243 Ca 0.02 -1.25 0.07 0.00 -1.21 0.00 0.00 61.69 59.32 2pq2 s THR 243 Cb 0.10 -2.32 -0.07 0.00 -1.51 0.00 0.00 72.50 68.70 2pq2 s THR 243 CO 0.74 0.00 0.06 0.42 -2.21 0.00 0.00 174.62 173.63 2pq2 s THR 244 N -3.56 2.04 0.27 5.08 -4.23 -1.26 -4.45 115.64 109.52 2pq2 s THR 244 Ca 0.19 -1.91 -0.01 0.00 -1.18 0.00 0.00 61.69 58.78 2pq2 s THR 244 Cb -0.03 -2.95 0.26 0.00 1.34 0.00 0.00 72.50 71.13 2pq2 s THR 244 CO 0.10 0.00 1.85 0.00 -0.54 0.00 0.00 174.62 176.03 2pq2 h ALA 245 N 1.64 1.40 -0.37 3.99 0.00 -1.90 -0.35 119.26 123.67 2pq2 h ALA 245 Ca -0.44 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.42 2pq2 h ALA 245 Cb 1.25 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 2pq2 h ALA 245 CO 0.77 0.28 -0.02 0.00 0.00 0.00 0.00 179.25 180.29 2pq2 h ALA 246 N 1.49 1.28 -0.07 0.00 0.00 -1.90 -3.31 119.26 116.75 2pq2 h ALA 246 Ca 0.45 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.14 2pq2 h ALA 246 Cb 0.35 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2pq2 h ALA 246 CO -0.23 0.49 0.00 -1.13 0.00 0.00 0.00 179.25 178.38 2pq2 n SER 247 N -4.25 1.90 -0.28 0.00 3.41 -0.99 -4.74 113.62 108.66 2pq2 n SER 247 Ca 0.02 -1.65 -0.04 0.00 -0.26 0.00 0.00 58.87 56.94 2pq2 n SER 247 Cb 0.27 -0.05 0.08 0.00 -0.26 0.00 0.00 64.21 64.25 2pq2 n SER 247 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2pq2 h ALA 248 N 0.72 0.99 -0.39 7.33 0.00 -1.16 -0.02 119.26 126.74 2pq2 h ALA 248 Ca 0.00 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 2pq2 h ALA 248 Cb 0.40 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 2pq2 h ALA 248 CO 0.00 0.37 0.21 0.00 0.00 0.00 0.00 179.25 179.83 2pq2 h ARG 250 N 0.50 0.62 -0.69 0.00 2.43 -1.82 -1.42 114.38 114.00 2pq2 h ARG 250 Ca 0.14 -0.09 -0.01 0.00 -0.81 0.00 0.00 59.98 59.21 2pq2 h ARG 250 Cb 0.06 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.46 2pq2 h ARG 250 CO -0.02 0.53 0.40 -0.92 -1.51 0.00 0.00 179.97 178.45 2pq2 h TYR 251 N 0.56 0.93 -0.46 2.20 3.20 -0.70 0.62 116.97 123.32 2pq2 h TYR 251 Ca 0.15 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.00 2pq2 h TYR 251 Cb 0.10 -0.30 -0.02 0.00 1.54 0.00 0.00 36.73 38.05 2pq2 h TYR 251 CO -0.01 0.64 0.24 0.82 -1.64 0.00 0.00 178.16 178.20 2pq2 h ILE 252 N 0.95 1.18 -0.69 1.81 2.04 -0.65 -1.95 117.51 120.20 2pq2 h ILE 252 Ca 0.25 -0.48 -0.02 0.00 1.00 0.00 0.00 64.86 65.61 2pq2 h ILE 252 Cb -0.01 0.64 -0.03 0.00 -0.74 0.00 0.00 36.82 36.68 2pq2 h ILE 252 CO -0.04 0.19 0.37 0.00 0.00 0.00 0.00 178.15 178.66 2pq2 h ALA 253 N 1.08 0.88 -0.28 1.87 0.00 -0.95 -1.70 119.26 120.16 2pq2 h ALA 253 Ca 0.16 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 2pq2 h ALA 253 Cb 0.09 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 2pq2 h ALA 253 CO -0.02 0.40 0.03 -0.44 0.00 0.00 0.00 179.25 179.22 2pq2 h ASP 254 N 0.94 0.38 -0.43 0.00 3.32 -0.65 -3.07 116.42 116.91 2pq2 h ASP 254 Ca 0.24 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.24 2pq2 h ASP 254 Cb 0.06 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.51 2pq2 h ASP 254 CO -0.04 0.42 0.00 0.35 -1.72 0.00 0.00 179.24 178.25 2pq2 n THR 255 N -4.34 0.97 -1.37 0.35 -2.24 -0.75 -5.02 114.28 101.88 2pq2 n THR 255 Ca 0.01 -0.98 -0.31 0.00 -2.27 0.00 0.00 64.05 60.50 2pq2 n THR 255 Cb 0.20 0.52 0.09 0.00 -2.10 0.00 0.00 70.33 69.04 2pq2 n THR 255 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2pq2 s ALA 256 N -1.01 2.28 0.01 6.98 0.00 -0.66 -4.63 121.76 124.74 2pq2 s ALA 256 Ca 0.29 0.13 -0.30 0.00 0.00 0.00 0.00 51.96 52.08 2pq2 s ALA 256 Cb 0.15 -3.22 -0.06 0.00 0.00 0.00 0.00 23.12 19.99 2pq2 s ALA 256 CO 0.20 -1.69 1.46 -0.80 0.00 0.00 0.00 175.76 174.93 2pq2 s ASN 257 N -3.56 6.80 -0.13 0.00 0.02 -0.43 -4.85 114.94 112.79 2pq2 s ASN 257 Ca 0.61 2.19 -0.01 0.00 -1.02 0.00 0.00 52.86 54.63 2pq2 s ASN 257 Cb -0.16 -2.56 -0.02 0.00 0.02 0.00 0.00 41.25 38.52 2pq2 s ASN 257 CO 0.56 -0.76 -0.08 -0.54 0.02 0.00 0.00 177.10 176.30 2pq2 s LYS 258 N 2.46 3.35 0.00 -0.60 1.02 -1.26 -1.05 119.74 123.65 2pq2 s LYS 258 Ca 0.66 -0.58 0.00 0.00 0.02 0.00 0.00 55.97 56.07 2pq2 s LYS 258 Cb -0.33 -2.74 0.00 0.00 -0.52 0.00 0.00 37.83 34.24 2pq2 s LYS 258 CO 0.28 0.34 0.00 0.41 -0.92 0.00 0.00 175.35 175.45 2pq2 n GLY 259 N 3.21 0.68 0.15 -3.33 0.00 -0.59 -4.92 105.19 100.38 2pq2 n GLY 259 Ca -0.18 0.00 0.03 0.00 0.00 0.00 0.00 46.02 45.87 2pq2 n GLY 259 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2pq2 h ASP 260 N 0.00 0.00 -3.61 1.61 3.32 -1.81 -3.46 116.42 112.47 2pq2 h ASP 260 Ca 0.00 0.00 -0.51 0.00 0.02 0.00 0.00 57.03 56.54 2pq2 h ASP 260 Cb 0.03 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.55 2pq2 h ASP 260 CO 0.00 0.50 0.08 -0.76 -1.72 0.00 0.00 179.24 177.33 2pq2 s LEU 261 N -6.75 4.21 0.36 1.55 1.43 -1.26 -4.90 118.68 113.33 2pq2 s LEU 261 Ca 0.02 1.31 0.08 0.00 -1.03 0.00 0.00 54.13 54.51 2pq2 s LEU 261 Cb 0.09 -3.78 -0.03 0.00 0.03 0.00 0.00 46.19 42.50 2pq2 s LEU 261 CO 0.73 -0.07 0.23 -0.94 0.23 0.00 0.00 176.35 176.53 2pq2 s SER 262 N -1.96 4.89 -1.51 2.29 1.04 -0.30 -4.66 113.70 113.49 2pq2 s SER 262 Ca 0.48 -0.72 -0.02 0.00 0.48 0.00 0.00 55.95 56.17 2pq2 s SER 262 Cb -0.13 -0.74 0.00 0.00 0.10 0.00 0.00 66.02 65.24 2pq2 s SER 262 CO 0.19 -0.40 0.23 0.59 0.98 0.00 0.00 173.24 174.83 2pq2 n ASN 263 N -1.29 -5.51 -4.61 7.02 5.03 -1.26 -1.75 115.26 112.89 2pq2 n ASN 263 Ca -0.01 -0.12 -0.39 0.00 0.87 0.00 0.00 54.58 54.93 2pq2 n ASN 263 Cb 0.61 -4.47 -0.10 0.00 -1.02 0.00 0.00 39.78 34.81 2pq2 n ASN 263 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 2pq2 s ILE 264 N -3.01 5.22 0.55 2.41 -1.09 -1.26 -4.62 121.20 119.40 2pq2 s ILE 264 Ca 0.12 0.45 -0.19 0.00 -2.23 0.00 0.00 60.65 58.80 2pq2 s ILE 264 Cb -0.05 -3.64 -0.06 0.00 -1.58 0.00 0.00 42.46 37.13 2pq2 s ILE 264 CO 0.14 0.19 1.11 -2.84 -1.23 0.00 0.00 174.94 172.32 2pq2 s PRO 265 N 1.91 3.36 0.23 2.79 0.02 -1.26 -4.94 135.00 137.11 2pq2 s PRO 265 Ca 0.13 1.53 -0.32 0.00 0.02 0.00 0.00 61.00 62.36 2pq2 s PRO 265 Cb -0.16 -2.01 -0.13 0.00 0.02 0.00 0.00 34.50 32.22 2pq2 s PRO 265 CO 0.10 -0.82 1.57 0.34 -0.33 0.00 0.00 177.00 177.85 2pq2 n PHE 266 N -1.41 2.52 0.00 6.54 -0.00 -1.26 -1.98 117.46 121.87 2pq2 n PHE 266 Ca 0.11 0.26 0.00 0.00 -0.00 0.00 0.00 57.45 57.82 2pq2 n PHE 266 Cb 0.51 -2.56 0.00 0.00 -0.00 0.00 0.00 39.48 37.43 2pq2 n PHE 266 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 2pq2 n GLY 267 N 2.79 0.05 3.75 7.13 0.00 -1.26 -5.01 105.19 112.64 2pq2 n GLY 267 Ca 0.13 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.79 2pq2 n GLY 267 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2pq2 s THR 268 N -2.00 4.94 0.41 2.61 2.01 -0.84 -3.64 115.64 119.15 2pq2 s THR 268 Ca 0.00 0.00 -0.27 0.00 0.31 0.00 0.00 61.69 61.74 2pq2 s THR 268 Cb 0.00 -3.15 -0.09 0.00 0.01 0.00 0.00 72.50 69.26 2pq2 s THR 268 CO 0.00 0.57 1.44 0.68 -0.69 0.00 0.00 174.62 176.62 2pq2 s VAL 269 N -0.61 2.13 -0.98 3.82 -7.23 -1.26 -4.84 120.40 111.43 2pq2 s VAL 269 Ca 0.11 0.12 -0.04 0.00 -1.81 0.00 0.00 61.98 60.37 2pq2 s VAL 269 Cb -0.12 -3.07 0.25 0.00 0.56 0.00 0.00 36.38 34.00 2pq2 s VAL 269 CO 0.02 0.02 0.97 -3.20 -0.31 0.00 0.00 175.10 172.61 2pq2 n ASN 270 N 0.12 4.86 -3.75 4.85 4.05 -1.26 -4.94 115.26 119.19 2pq2 n ASN 270 Ca 0.03 -3.15 -0.15 0.00 0.45 0.00 0.00 54.58 51.76 2pq2 n ASN 270 Cb 0.41 -1.16 -0.16 0.00 1.23 0.00 0.00 39.78 40.10 2pq2 n ASN 270 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 2pq2 s LEU 271 N -1.57 0.83 -0.11 1.20 1.43 -1.26 -1.54 118.68 117.66 2pq2 s LEU 271 Ca 0.30 0.13 0.03 0.00 -1.03 0.00 0.00 54.13 53.56 2pq2 s LEU 271 Cb -0.06 0.05 0.01 0.00 0.03 0.00 0.00 46.19 46.22 2pq2 s LEU 271 CO -0.08 -0.15 -0.22 -0.22 0.23 0.00 0.00 176.35 175.91 2pq2 s LEU 272 N 1.27 2.03 0.16 1.79 2.96 -0.22 -0.92 118.68 125.75 2pq2 s LEU 272 Ca -0.07 -0.54 -0.34 0.00 -0.22 0.00 0.00 54.13 52.96 2pq2 s LEU 272 Cb -0.12 -1.34 -0.15 0.00 0.50 0.00 0.00 46.19 45.08 2pq2 s LEU 272 CO -0.04 0.11 1.42 0.00 -1.32 0.00 0.00 176.35 176.53 2pq2 n ALA 273 N 3.77 0.42 -3.65 5.97 0.00 -0.34 -1.31 120.51 125.36 2pq2 n ALA 273 Ca -0.20 0.46 -0.13 0.00 0.00 0.00 0.00 53.44 53.58 2pq2 n ALA 273 Cb 0.52 -2.22 -0.13 0.00 0.00 0.00 0.00 19.45 17.62 2pq2 n ALA 273 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 2pq2 s TYR 274 N 0.44 -0.31 -1.09 0.00 5.04 -1.26 -4.43 117.35 115.74 2pq2 s TYR 274 Ca 0.77 0.74 0.28 0.00 -2.44 0.00 0.00 57.07 56.42 2pq2 s TYR 274 Cb -0.77 0.04 0.98 0.00 0.35 0.00 0.00 41.96 42.56 2pq2 s TYR 274 CO 0.45 -0.21 1.74 0.27 -1.34 0.00 0.00 175.55 176.45 2pq2 n ASN 275 N 4.07 0.24 -3.48 4.32 6.94 0.99 -4.72 115.26 123.62 2pq2 n ASN 275 Ca -0.24 0.08 -0.25 0.00 -0.02 0.00 0.00 54.58 54.15 2pq2 n ASN 275 Cb 0.54 -0.17 0.00 0.00 -2.36 0.00 0.00 39.78 37.78 2pq2 n ASN 275 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 2pq2 n ASN 276 N -1.43 -4.03 -4.72 0.53 3.02 -1.26 -4.91 115.26 102.45 2pq2 n ASN 276 Ca 0.08 -0.49 -0.42 0.00 -0.03 0.00 0.00 54.58 53.72 2pq2 n ASN 276 Cb 0.33 -3.31 -0.03 0.00 -0.61 0.00 0.00 39.78 36.16 2pq2 n ASN 276 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 2pq2 s TYR 277 N -3.03 3.42 -0.10 3.10 6.14 -1.26 -5.02 117.35 120.60 2pq2 s TYR 277 Ca 0.46 1.31 -0.02 0.00 0.64 0.00 0.00 57.07 59.46 2pq2 s TYR 277 Cb -0.24 -3.44 0.04 0.00 0.42 0.00 0.00 41.96 38.73 2pq2 s TYR 277 CO 0.56 -1.35 0.01 -0.65 0.64 0.00 0.00 175.55 174.76 2pq2 s GLN 278 N 0.68 0.65 0.00 4.97 -1.52 -1.26 -5.06 119.66 118.12 2pq2 s GLN 278 Ca 0.57 -0.03 0.01 0.00 -1.95 0.00 0.00 55.36 53.96 2pq2 s GLN 278 Cb -0.31 -1.27 0.03 0.00 -0.22 0.00 0.00 33.01 31.24 2pq2 s GLN 278 CO 0.31 -0.38 0.53 0.00 -0.25 0.00 0.00 175.29 175.50