#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aw2 n SER 3 N 0.00 3.71 -4.87 2.55 7.64 -1.26 -4.93 113.62 116.46 2aw2 n SER 3 Ca 0.00 -2.81 -0.37 0.00 1.01 0.00 0.00 58.87 56.70 2aw2 n SER 3 Cb 0.00 -1.56 -0.06 0.00 -1.01 0.00 0.00 64.21 61.58 2aw2 n SER 3 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2aw2 s LYS 5 N -1.24 -0.44 0.38 0.00 1.02 -1.26 -4.85 119.74 113.36 2aw2 s LYS 5 Ca 0.21 0.38 0.16 0.00 0.02 0.00 0.00 55.97 56.74 2aw2 s LYS 5 Cb -0.14 -1.65 1.02 0.00 -0.52 0.00 0.00 37.83 36.55 2aw2 s LYS 5 CO 0.10 -3.28 1.80 1.49 -0.92 0.00 0.00 175.35 174.54 2aw2 h GLU 6 N -2.29 0.46 -0.27 1.68 4.57 -2.03 -1.43 114.58 115.28 2aw2 h GLU 6 Ca -0.53 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 57.62 2aw2 h GLU 6 Cb 1.33 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 29.81 2aw2 h GLU 6 CO 0.50 0.30 0.00 -0.40 -1.18 0.00 0.00 179.01 178.23 2aw2 n ASP 7 N -4.62 2.63 -4.43 1.04 5.75 -1.26 -4.95 116.55 110.70 2aw2 n ASP 7 Ca 0.23 -1.87 -0.22 0.00 -0.01 0.00 0.00 54.79 52.92 2aw2 n ASP 7 Cb 0.76 -0.17 -0.10 0.00 -1.03 0.00 0.00 41.12 40.58 2aw2 n ASP 7 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 2aw2 s GLU 8 N -1.65 1.57 0.04 0.11 2.02 -0.54 -2.34 118.70 117.90 2aw2 s GLU 8 Ca 0.35 -1.72 -0.03 0.00 0.02 0.00 0.00 54.97 53.59 2aw2 s GLU 8 Cb 0.20 -1.53 -0.02 0.00 0.10 0.00 0.00 34.13 32.88 2aw2 s GLU 8 CO 0.29 0.26 0.02 1.52 0.02 0.00 0.00 175.26 177.37 2aw2 s TYR 9 N -2.69 0.31 -0.09 1.61 1.13 0.75 -4.49 117.35 113.87 2aw2 s TYR 9 Ca 0.28 -0.67 -0.28 0.00 -1.41 0.00 0.00 57.07 54.99 2aw2 s TYR 9 Cb -0.03 -0.23 -0.02 0.00 -1.10 0.00 0.00 41.96 40.59 2aw2 s TYR 9 CO 0.12 -0.32 0.95 -1.25 -2.51 0.00 0.00 175.55 172.54 2aw2 s PRO 10 N -2.62 4.43 -0.12 -3.49 0.05 -1.26 -1.30 135.00 130.69 2aw2 s PRO 10 Ca -0.05 1.29 -0.04 0.00 0.05 0.00 0.00 61.00 62.25 2aw2 s PRO 10 Cb -0.01 -3.53 0.05 0.00 0.05 0.00 0.00 34.50 31.06 2aw2 s PRO 10 CO -0.05 -0.24 0.08 0.54 0.05 0.00 0.00 177.00 177.38 2aw2 s VAL 11 N 1.76 -0.09 0.00 -0.36 0.11 -0.88 -5.00 120.40 115.93 2aw2 s VAL 11 Ca 0.46 0.08 0.00 0.00 -2.93 0.00 0.00 61.98 59.59 2aw2 s VAL 11 Cb -0.18 -0.40 0.00 0.00 -1.53 0.00 0.00 36.38 34.27 2aw2 s VAL 11 CO 0.19 -0.09 0.00 0.61 -3.33 0.00 0.00 175.10 172.48 2aw2 n GLY 12 N 5.29 1.13 0.70 6.54 0.00 -1.26 -3.44 105.19 114.15 2aw2 n GLY 12 Ca -0.05 -0.69 0.12 0.00 0.00 0.00 0.00 46.02 45.39 2aw2 n GLY 12 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2aw2 n SER 13 N 4.32 2.40 -4.59 1.61 3.41 -1.26 -4.81 113.62 114.70 2aw2 n SER 13 Ca 0.00 -1.71 -0.24 0.00 -0.26 0.00 0.00 58.87 56.66 2aw2 n SER 13 Cb 0.00 0.22 -0.09 0.00 -0.26 0.00 0.00 64.21 64.08 2aw2 n SER 13 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 2aw2 s GLU 14 N -2.24 2.01 0.63 4.33 8.01 -1.22 -4.16 118.70 126.07 2aw2 s GLU 14 Ca 0.24 -1.72 -0.04 0.00 0.01 0.00 0.00 54.97 53.46 2aw2 s GLU 14 Cb 0.19 -1.91 0.04 0.00 -4.31 0.00 0.00 34.13 28.14 2aw2 s GLU 14 CO 0.43 0.21 0.91 0.00 0.01 0.00 0.00 175.26 176.82 2aw2 s PRO 17 N -0.93 4.16 0.59 0.00 0.02 -1.26 -0.18 135.00 137.41 2aw2 s PRO 17 Ca -0.09 2.49 -0.17 0.00 0.02 0.00 0.00 61.00 63.24 2aw2 s PRO 17 Cb -0.01 -3.42 -0.04 0.00 0.02 0.00 0.00 34.50 31.05 2aw2 s PRO 17 CO 0.08 -0.76 1.10 0.15 -0.33 0.00 0.00 177.00 177.24 2aw2 s LYS 18 N 2.14 3.18 0.54 5.54 1.02 -0.99 -4.72 119.74 126.45 2aw2 s LYS 18 Ca 0.76 1.44 -0.16 0.00 0.02 0.00 0.00 55.97 58.02 2aw2 s LYS 18 Cb -0.45 -2.00 -0.06 0.00 -0.52 0.00 0.00 37.83 34.80 2aw2 s LYS 18 CO 0.34 -0.96 1.01 0.00 -0.92 0.00 0.00 175.35 174.82 2aw2 s SER 20 N -2.95 3.12 0.45 0.00 0.01 -1.26 -1.41 113.70 111.66 2aw2 s SER 20 Ca 0.61 1.37 -0.24 0.00 1.31 0.00 0.00 55.95 59.00 2aw2 s SER 20 Cb -0.12 -2.05 -0.08 0.00 0.21 0.00 0.00 66.02 63.98 2aw2 s SER 20 CO 0.33 -2.84 1.31 -2.84 0.41 0.00 0.00 173.24 169.61 2aw2 s PRO 21 N -4.94 3.72 0.00 12.44 0.02 -1.25 -2.54 135.00 142.44 2aw2 s PRO 21 Ca 0.64 2.16 0.00 0.00 0.02 0.00 0.00 61.00 63.82 2aw2 s PRO 21 Cb -0.18 -2.58 0.00 0.00 0.02 0.00 0.00 34.50 31.76 2aw2 s PRO 21 CO 0.57 -0.70 0.00 0.41 -0.33 0.00 0.00 177.00 176.95 2aw2 n GLY 22 N 0.63 0.78 3.01 0.52 0.00 -0.87 -4.83 105.19 104.43 2aw2 n GLY 22 Ca 0.06 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.94 2aw2 n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2aw2 s TYR 23 N -3.00 0.55 0.30 1.61 1.51 -1.05 -1.35 117.35 115.91 2aw2 s TYR 23 Ca 0.00 -0.30 0.09 0.00 -1.01 0.00 0.00 57.07 55.85 2aw2 s TYR 23 Cb 0.00 -0.34 -0.04 0.00 -0.11 0.00 0.00 41.96 41.47 2aw2 s TYR 23 CO 0.00 -0.05 0.04 -0.98 -1.11 0.00 0.00 175.55 173.45 2aw2 s ARG 24 N -0.86 2.26 -0.09 -0.62 1.70 0.17 -4.59 118.95 116.93 2aw2 s ARG 24 Ca -0.04 -1.52 -0.30 0.00 -0.47 0.00 0.00 55.73 53.40 2aw2 s ARG 24 Cb -0.06 -2.12 -0.02 0.00 -0.57 0.00 0.00 34.95 32.18 2aw2 s ARG 24 CO 0.00 0.25 1.12 0.08 -1.08 0.00 0.00 175.30 175.67 2aw2 s VAL 25 N -2.39 4.48 -0.20 4.99 1.01 0.12 -0.16 120.40 128.25 2aw2 s VAL 25 Ca 0.34 1.78 0.00 0.00 0.00 0.00 0.00 61.98 64.10 2aw2 s VAL 25 Cb -0.04 -4.15 -0.13 0.00 0.00 0.00 0.00 36.38 32.07 2aw2 s VAL 25 CO 0.20 -0.02 -0.19 1.17 0.00 0.00 0.00 175.10 176.27 2aw2 n LYS 26 N 5.29 0.49 -3.77 2.72 4.81 0.11 -4.48 118.16 123.33 2aw2 n LYS 26 Ca 0.10 0.12 -0.13 0.00 -0.87 0.00 0.00 58.31 57.54 2aw2 n LYS 26 Cb 0.47 -1.38 -0.13 0.00 0.02 0.00 0.00 35.03 34.01 2aw2 n LYS 26 CO 0.00 0.00 0.00 -2.00 1.17 0.00 0.00 177.40 176.57 2aw2 s GLU 27 N -2.40 0.17 0.03 1.64 2.12 -0.94 -5.02 118.70 114.31 2aw2 s GLU 27 Ca -0.27 0.36 -0.29 0.00 0.36 0.00 0.00 54.97 55.13 2aw2 s GLU 27 Cb 0.07 -0.04 -0.04 0.00 0.26 0.00 0.00 34.13 34.38 2aw2 s GLU 27 CO 0.45 -0.10 0.93 0.00 -0.54 0.00 0.00 175.26 175.99 2aw2 s ALA 28 N 0.72 3.22 0.26 6.30 0.00 -1.26 -1.14 121.76 129.86 2aw2 s ALA 28 Ca -0.05 0.49 -0.05 0.00 0.00 0.00 0.00 51.96 52.34 2aw2 s ALA 28 Cb -0.07 -3.25 -0.05 0.00 0.00 0.00 0.00 23.12 19.75 2aw2 s ALA 28 CO -0.04 -0.13 -0.18 0.00 0.00 0.00 0.00 175.76 175.42 2aw2 n GLY 30 N 0.98 4.68 0.34 0.00 0.00 -0.83 -4.97 105.19 105.38 2aw2 n GLY 30 Ca 0.00 -2.06 0.08 0.00 0.00 0.00 0.00 46.02 44.05 2aw2 n GLY 30 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2aw2 h GLU 31 N 0.00 0.50 0.00 1.61 4.57 -1.98 -3.19 114.58 116.09 2aw2 h GLU 31 Ca 0.00 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.15 2aw2 h GLU 31 Cb 0.00 -0.11 0.00 0.00 -0.16 0.00 0.00 28.75 28.48 2aw2 h GLU 31 CO 0.00 0.33 -0.31 -0.11 -1.18 0.00 0.00 179.01 177.74 2aw2 n LEU 32 N -4.47 0.02 -4.61 1.64 0.00 -1.26 -5.05 117.00 103.27 2aw2 n LEU 32 Ca 0.08 -0.36 -0.30 0.00 0.00 0.00 0.00 56.01 55.42 2aw2 n LEU 32 Cb 0.24 0.00 -0.09 0.00 0.00 0.00 0.00 43.42 43.57 2aw2 n LEU 32 CO 0.34 0.01 -0.39 0.28 0.00 0.00 0.00 177.39 177.63 2aw2 s THR 33 N -1.33 3.60 0.79 1.96 -1.32 -1.21 -5.13 115.64 113.00 2aw2 s THR 33 Ca 0.00 -1.15 -0.05 0.00 -1.21 0.00 0.00 61.69 59.28 2aw2 s THR 33 Cb 0.01 -2.69 0.15 0.00 -1.51 0.00 0.00 72.50 68.46 2aw2 s THR 33 CO 0.03 0.13 1.09 -0.83 -2.21 0.00 0.00 174.62 172.82 2aw2 s GLY 34 N -2.20 1.76 -0.12 6.08 0.00 -1.26 -1.97 107.32 109.62 2aw2 s GLY 34 Ca 0.23 -1.61 -0.22 0.00 0.00 0.00 0.00 44.72 43.12 2aw2 s GLY 34 CO 0.15 -0.98 0.65 -1.59 0.00 0.00 0.00 173.10 171.33 2aw2 s THR 35 N -3.35 5.05 -0.23 0.90 2.01 -1.26 -3.72 115.64 115.05 2aw2 s THR 35 Ca 0.69 1.30 -0.21 0.00 0.31 0.00 0.00 61.69 63.78 2aw2 s THR 35 Cb -0.05 -3.98 -0.02 0.00 0.01 0.00 0.00 72.50 68.46 2aw2 s THR 35 CO 0.47 0.21 0.65 -0.69 -0.69 0.00 0.00 174.62 174.57 2aw2 s VAL 36 N 1.15 4.98 0.24 3.82 1.01 -0.29 -4.93 120.40 126.38 2aw2 s VAL 36 Ca 0.33 1.20 0.09 0.00 0.00 0.00 0.00 61.98 63.61 2aw2 s VAL 36 Cb -0.17 -3.96 -0.04 0.00 0.00 0.00 0.00 36.38 32.21 2aw2 s VAL 36 CO 0.14 0.05 -0.04 0.00 0.00 0.00 0.00 175.10 175.25 2aw2 s GLU 38 N -3.41 0.11 0.38 0.00 2.12 0.77 -4.84 118.70 113.83 2aw2 s GLU 38 Ca 0.29 0.32 -0.25 0.00 0.36 0.00 0.00 54.97 55.69 2aw2 s GLU 38 Cb -0.07 -0.12 -0.12 0.00 0.26 0.00 0.00 34.13 34.09 2aw2 s GLU 38 CO 0.18 -0.13 1.02 -2.30 -0.54 0.00 0.00 175.26 173.49 2aw2 n PRO 39 N 3.90 1.39 -2.05 4.30 -0.02 -1.26 0.46 135.00 141.71 2aw2 n PRO 39 Ca -0.23 0.50 -0.42 0.00 -2.02 0.00 0.00 63.50 61.33 2aw2 n PRO 39 Cb 0.54 -2.00 -0.03 0.00 -0.02 0.00 0.00 33.50 31.99 2aw2 n PRO 39 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2aw2 s PRO 41 N 0.07 0.55 0.25 0.00 0.02 -1.26 -4.86 135.00 129.76 2aw2 s PRO 41 Ca 0.61 1.38 -0.30 0.00 0.02 0.00 0.00 61.00 62.71 2aw2 s PRO 41 Cb -0.41 -1.69 -0.14 0.00 0.02 0.00 0.00 34.50 32.29 2aw2 s PRO 41 CO 0.39 -2.90 1.17 -2.30 -0.33 0.00 0.00 177.00 173.03 2aw2 n PRO 42 N -4.40 1.51 -1.00 5.54 -0.02 -1.26 -1.95 135.00 133.41 2aw2 n PRO 42 Ca 0.10 0.53 -0.00 0.00 -2.02 0.00 0.00 63.50 62.11 2aw2 n PRO 42 Cb 0.53 -2.02 -0.00 0.00 -0.02 0.00 0.00 33.50 31.98 2aw2 n PRO 42 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2aw2 n GLY 43 N 1.62 0.47 3.42 -1.23 0.00 -1.26 -5.02 105.19 103.18 2aw2 n GLY 43 Ca 0.11 -0.06 -0.21 0.00 0.00 0.00 0.00 46.02 45.87 2aw2 n GLY 43 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2aw2 s THR 44 N -1.94 1.40 0.11 2.61 -4.23 -0.82 -1.92 115.64 110.85 2aw2 s THR 44 Ca 0.00 -2.07 -0.23 0.00 -1.18 0.00 0.00 61.69 58.21 2aw2 s THR 44 Cb 0.00 -2.53 0.06 0.00 1.34 0.00 0.00 72.50 71.38 2aw2 s THR 44 CO 0.00 -0.22 0.57 -0.72 -0.54 0.00 0.00 174.62 173.70 2aw2 s TYR 45 N -3.17 -0.48 -0.02 3.99 1.13 -0.06 -4.39 117.35 114.36 2aw2 s TYR 45 Ca 0.31 0.38 0.00 0.00 -1.41 0.00 0.00 57.07 56.36 2aw2 s TYR 45 Cb 0.06 0.46 0.02 0.00 -1.10 0.00 0.00 41.96 41.39 2aw2 s TYR 45 CO 0.12 -0.76 0.01 0.42 -2.51 0.00 0.00 175.55 172.83 2aw2 s ILE 46 N -3.22 0.05 -0.44 -3.49 1.01 -0.64 -1.32 121.20 113.15 2aw2 s ILE 46 Ca -0.01 0.09 0.23 0.00 0.00 0.00 0.00 60.65 60.95 2aw2 s ILE 46 Cb -0.00 -0.12 -0.13 0.00 0.01 0.00 0.00 42.46 42.21 2aw2 s ILE 46 CO -0.08 0.08 0.93 0.00 0.00 0.00 0.00 174.94 175.87 2aw2 n ALA 47 N 3.76 3.14 -2.40 9.38 0.00 -1.26 -2.04 120.51 131.09 2aw2 n ALA 47 Ca -0.22 -0.39 -0.21 0.00 0.00 0.00 0.00 53.44 52.62 2aw2 n ALA 47 Cb 0.54 -0.96 -0.09 0.00 0.00 0.00 0.00 19.45 18.94 2aw2 n ALA 47 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 2aw2 s HIS 48 N -3.28 1.71 0.20 0.00 3.76 -1.26 -4.83 115.29 111.58 2aw2 s HIS 48 Ca 0.01 -1.28 -0.33 0.00 -0.15 0.00 0.00 55.06 53.31 2aw2 s HIS 48 Cb 0.13 -1.01 -0.14 0.00 1.11 0.00 0.00 32.58 32.68 2aw2 s HIS 48 CO 0.82 -0.38 1.53 1.28 -0.85 0.00 0.00 174.74 177.14 2aw2 n LEU 49 N -0.69 3.19 -3.76 0.89 4.32 -1.26 -3.89 117.00 115.81 2aw2 n LEU 49 Ca -0.01 1.11 -0.13 0.00 -0.02 0.00 0.00 56.01 56.96 2aw2 n LEU 49 Cb 0.65 -1.44 -0.08 0.00 -1.62 0.00 0.00 43.42 40.93 2aw2 n LEU 49 CO 0.36 -0.32 0.03 0.54 -1.22 0.00 0.00 177.39 176.78 2aw2 s ASN 50 N 0.69 -0.16 -0.47 -1.43 2.20 -0.50 -4.94 114.94 110.32 2aw2 s ASN 50 Ca 0.74 -0.03 0.04 0.00 -0.94 0.00 0.00 52.86 52.68 2aw2 s ASN 50 Cb -0.65 0.33 0.42 0.00 -2.00 0.00 0.00 41.25 39.35 2aw2 s ASN 50 CO 0.42 -0.52 1.26 0.61 -2.94 0.00 0.00 177.10 175.94 2aw2 n GLY 51 N 0.99 6.02 3.80 0.45 0.00 -1.26 0.24 105.19 115.43 2aw2 n GLY 51 Ca -0.20 -2.70 -0.37 0.00 0.00 0.00 0.00 46.02 42.75 2aw2 n GLY 51 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2aw2 s LEU 52 N -3.62 4.33 -0.00 0.99 1.43 -1.26 -4.90 118.68 115.63 2aw2 s LEU 52 Ca 0.50 0.50 0.14 0.00 -1.03 0.00 0.00 54.13 54.24 2aw2 s LEU 52 Cb 0.41 -2.23 0.41 0.00 0.03 0.00 0.00 46.19 44.80 2aw2 s LEU 52 CO -0.17 0.27 1.33 -1.54 0.23 0.00 0.00 176.35 176.47 2aw2 n SER 53 N 2.70 2.49 -3.64 2.29 3.41 -1.26 0.13 113.62 119.74 2aw2 n SER 53 Ca -0.16 -2.02 -0.12 0.00 -0.26 0.00 0.00 58.87 56.31 2aw2 n SER 53 Cb 0.53 -0.31 -0.07 0.00 -0.26 0.00 0.00 64.21 64.09 2aw2 n SER 53 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 2aw2 s LYS 54 N -1.41 0.78 0.58 4.33 2.20 -1.26 -4.79 119.74 120.16 2aw2 s LYS 54 Ca 0.31 1.05 -0.14 0.00 -0.36 0.00 0.00 55.97 56.83 2aw2 s LYS 54 Cb 0.16 0.31 -0.05 0.00 -1.51 0.00 0.00 37.83 36.74 2aw2 s LYS 54 CO 0.20 -0.12 1.02 0.00 -0.36 0.00 0.00 175.35 176.09 2aw2 s LEU 56 N -4.67 3.95 0.31 0.00 1.02 -0.43 -4.78 118.68 114.07 2aw2 s LEU 56 Ca 0.58 1.72 -0.29 0.00 0.02 0.00 0.00 54.13 56.15 2aw2 s LEU 56 Cb -0.11 -4.51 -0.10 0.00 0.02 0.00 0.00 46.19 41.49 2aw2 s LEU 56 CO 0.43 -0.38 1.18 -1.10 0.02 0.00 0.00 176.35 176.50 2aw2 s GLN 57 N -3.13 4.50 0.26 1.70 -1.52 -1.26 -0.88 119.66 119.34 2aw2 s GLN 57 Ca 0.62 1.96 -0.30 0.00 -1.95 0.00 0.00 55.36 55.69 2aw2 s GLN 57 Cb -0.10 -3.12 -0.10 0.00 -0.22 0.00 0.00 33.01 29.48 2aw2 s GLN 57 CO 0.14 0.04 1.33 0.00 -0.25 0.00 0.00 175.29 176.55 2aw2 s GLN 59 N -0.78 3.41 0.02 0.00 2.00 -1.26 -5.01 119.66 118.04 2aw2 s GLN 59 Ca 0.54 2.30 0.02 0.00 -2.00 0.00 0.00 55.36 56.23 2aw2 s GLN 59 Cb -0.39 -2.45 -0.04 0.00 0.80 0.00 0.00 33.01 30.94 2aw2 s GLN 59 CO 0.44 -1.00 0.02 1.41 -0.50 0.00 0.00 175.29 175.67 2aw2 s MET 60 N -2.69 2.79 -0.56 1.67 1.75 -1.26 -4.66 119.30 116.35 2aw2 s MET 60 Ca 0.66 -0.64 0.04 0.00 -1.25 0.00 0.00 55.69 54.50 2aw2 s MET 60 Cb -0.42 -2.68 0.14 0.00 2.84 0.00 0.00 34.83 34.72 2aw2 s MET 60 CO 0.51 0.61 0.31 0.00 -0.65 0.00 0.00 175.02 175.80 2aw2 s ASP 62 N -0.47 6.50 0.55 0.00 -1.08 -1.26 -4.78 116.67 116.12 2aw2 s ASP 62 Ca 0.19 1.95 0.22 0.00 -0.52 0.00 0.00 52.55 54.39 2aw2 s ASP 62 Cb -0.22 -2.53 1.51 0.00 -1.46 0.00 0.00 42.92 40.22 2aw2 s ASP 62 CO -0.03 -1.11 2.19 -0.65 0.52 0.00 0.00 175.17 176.09 2aw2 h PRO 63 N 10.26 0.00 0.00 4.34 0.11 -1.96 -1.68 132.00 143.07 2aw2 h PRO 63 Ca -0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.74 2aw2 h PRO 63 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 2aw2 h PRO 63 CO 0.97 0.01 0.00 0.00 -0.21 0.00 0.00 178.00 178.78 2aw2 h ALA 64 N 1.99 1.00 -0.51 -0.75 0.00 -1.90 0.91 119.26 120.00 2aw2 h ALA 64 Ca -0.00 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.79 2aw2 h ALA 64 Cb 0.02 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 17.75 2aw2 h ALA 64 CO 0.00 0.00 0.10 -1.33 0.00 0.00 0.00 179.25 178.02 2aw2 n MET 65 N -2.38 3.35 -2.77 0.00 2.81 -0.64 -4.95 117.12 112.54 2aw2 n MET 65 Ca -0.01 -3.04 -0.20 0.00 -1.81 0.00 0.00 57.70 52.65 2aw2 n MET 65 Cb 0.11 -2.05 0.02 0.00 -0.71 0.00 0.00 33.22 30.59 2aw2 n MET 65 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2aw2 n GLY 66 N -0.32 -0.41 3.50 3.03 0.00 0.32 -1.28 105.19 110.03 2aw2 n GLY 66 Ca 0.32 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.01 2aw2 n GLY 66 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2aw2 s LEU 67 N -5.89 3.12 0.06 0.99 1.43 -1.19 -2.35 118.68 114.85 2aw2 s LEU 67 Ca 0.19 -0.14 0.06 0.00 -1.03 0.00 0.00 54.13 53.22 2aw2 s LEU 67 Cb -0.09 -1.72 -0.04 0.00 0.03 0.00 0.00 46.19 44.38 2aw2 s LEU 67 CO 0.24 0.22 -0.12 -0.60 0.23 0.00 0.00 176.35 176.32 2aw2 s ARG 68 N 0.03 2.22 -0.35 1.70 3.52 -0.33 -3.82 118.95 121.93 2aw2 s ARG 68 Ca -0.01 -0.93 -0.29 0.00 -0.13 0.00 0.00 55.73 54.37 2aw2 s ARG 68 Cb -0.14 -2.32 0.01 0.00 -1.56 0.00 0.00 34.95 30.94 2aw2 s ARG 68 CO 0.03 0.54 1.34 0.00 -0.81 0.00 0.00 175.30 176.40 2aw2 s ALA 69 N -1.06 3.23 0.08 6.12 0.00 -1.26 -0.98 121.76 127.88 2aw2 s ALA 69 Ca 0.18 -0.03 0.24 0.00 0.00 0.00 0.00 51.96 52.35 2aw2 s ALA 69 Cb -0.11 -3.85 0.88 0.00 0.00 0.00 0.00 23.12 20.04 2aw2 s ALA 69 CO 0.09 -2.04 1.80 0.66 0.00 0.00 0.00 175.76 176.28 2aw2 h SER 70 N 9.84 0.00 -3.50 0.00 4.64 -1.56 -3.44 113.55 119.53 2aw2 h SER 70 Ca -0.27 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 60.95 2aw2 h SER 70 Cb 1.10 0.00 -0.25 0.00 -0.31 0.00 0.00 62.40 62.94 2aw2 h SER 70 CO 1.06 0.21 -0.24 -0.60 -0.87 0.00 0.00 176.83 176.39 2aw2 s ARG 71 N -3.58 0.46 0.69 4.77 3.52 -1.15 -4.98 118.95 118.68 2aw2 s ARG 71 Ca 0.01 0.73 -0.12 0.00 -0.13 0.00 0.00 55.73 56.22 2aw2 s ARG 71 Cb 0.10 0.10 0.01 0.00 -1.56 0.00 0.00 34.95 33.60 2aw2 s ARG 71 CO 0.64 -0.12 1.07 -0.80 -0.81 0.00 0.00 175.30 175.28 2aw2 s ASN 72 N 0.91 5.24 0.00 -2.12 0.01 -1.26 -2.00 114.94 115.71 2aw2 s ASN 72 Ca -0.05 1.72 -0.30 0.00 -0.71 0.00 0.00 52.86 53.51 2aw2 s ASN 72 Cb -0.06 -2.51 -0.04 0.00 0.41 0.00 0.00 41.25 39.05 2aw2 s ASN 72 CO -0.07 -1.54 1.08 0.00 -1.51 0.00 0.00 177.10 175.06 2aw2 s SER 74 N 1.10 3.73 0.49 0.00 1.04 -0.09 -4.94 113.70 115.03 2aw2 s SER 74 Ca 0.54 -1.57 0.14 0.00 0.48 0.00 0.00 55.95 55.54 2aw2 s SER 74 Cb -0.24 0.27 1.15 0.00 0.10 0.00 0.00 66.02 67.30 2aw2 s SER 74 CO 0.26 -0.76 2.09 0.03 0.98 0.00 0.00 173.24 175.85 2aw2 h ARG 75 N 1.57 0.06 0.00 4.02 3.08 -1.93 -2.88 114.38 118.30 2aw2 h ARG 75 Ca -0.42 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.62 2aw2 h ARG 75 Cb 1.29 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.32 2aw2 h ARG 75 CO 0.73 0.09 -1.09 0.25 -1.07 0.00 0.00 179.97 178.88 2aw2 n THR 76 N -4.47 0.01 -4.04 2.04 -2.24 -1.26 -1.62 114.28 102.70 2aw2 n THR 76 Ca -0.02 -0.07 -0.15 0.00 -2.27 0.00 0.00 64.05 61.55 2aw2 n THR 76 Cb 0.13 0.82 -0.14 0.00 -2.10 0.00 0.00 70.33 69.04 2aw2 n THR 76 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2aw2 s GLU 77 N -3.07 0.27 0.65 -0.78 2.02 -1.09 -4.23 118.70 112.48 2aw2 s GLU 77 Ca 0.06 -0.10 -0.15 0.00 0.02 0.00 0.00 54.97 54.81 2aw2 s GLU 77 Cb 0.16 -0.28 -0.01 0.00 0.10 0.00 0.00 34.13 34.11 2aw2 s GLU 77 CO 0.86 0.05 1.09 1.21 0.02 0.00 0.00 175.26 178.50 2aw2 s ASN 78 N 0.02 5.27 0.24 -0.19 3.84 -1.26 -0.91 114.94 121.94 2aw2 s ASN 78 Ca 0.00 1.90 -0.30 0.00 0.21 0.00 0.00 52.86 54.68 2aw2 s ASN 78 Cb -0.02 -2.54 -0.09 0.00 -0.55 0.00 0.00 41.25 38.05 2aw2 s ASN 78 CO -0.00 -1.51 0.97 0.00 -2.79 0.00 0.00 177.10 173.76 2aw2 s ALA 79 N -2.47 3.35 -0.20 1.71 0.00 -1.26 -4.55 121.76 118.33 2aw2 s ALA 79 Ca 0.65 0.67 0.00 0.00 0.00 0.00 0.00 51.96 53.28 2aw2 s ALA 79 Cb -0.18 -3.24 0.02 0.00 0.00 0.00 0.00 23.12 19.72 2aw2 s ALA 79 CO 0.42 0.12 -0.15 0.08 0.00 0.00 0.00 175.76 176.23 2aw2 s VAL 80 N -1.08 2.31 0.01 0.00 1.01 -0.85 -4.58 120.40 117.23 2aw2 s VAL 80 Ca 0.42 -1.00 -0.25 0.00 0.00 0.00 0.00 61.98 61.15 2aw2 s VAL 80 Cb -0.27 -2.06 -0.05 0.00 0.00 0.00 0.00 36.38 34.00 2aw2 s VAL 80 CO 0.33 0.41 0.76 0.00 0.00 0.00 0.00 175.10 176.60 2aw2 n GLY 82 N 2.60 3.45 3.83 0.00 0.00 -0.15 -4.36 105.19 110.55 2aw2 n GLY 82 Ca -0.02 -2.19 -0.34 0.00 0.00 0.00 0.00 46.02 43.47 2aw2 n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2aw2 s SER 84 N -2.03 4.25 -0.20 0.00 0.01 -0.99 -4.51 113.70 110.23 2aw2 s SER 84 Ca 0.53 1.20 -0.40 0.00 1.31 0.00 0.00 55.95 58.59 2aw2 s SER 84 Cb -0.12 -1.89 -0.17 0.00 0.21 0.00 0.00 66.02 64.05 2aw2 s SER 84 CO 0.18 -2.11 1.60 -2.65 0.41 0.00 0.00 173.24 170.67 2aw2 n PRO 85 N -3.51 0.99 -2.93 12.44 -0.02 -1.26 -2.05 135.00 138.66 2aw2 n PRO 85 Ca 0.07 0.36 -0.11 0.00 -2.02 0.00 0.00 63.50 61.80 2aw2 n PRO 85 Cb 0.57 -2.01 0.05 0.00 -0.02 0.00 0.00 33.50 32.09 2aw2 n PRO 85 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2aw2 n GLY 86 N 3.65 0.01 3.04 -1.23 0.00 -1.26 -5.03 105.19 104.37 2aw2 n GLY 86 Ca 0.25 -0.14 -0.10 0.00 0.00 0.00 0.00 46.02 46.02 2aw2 n GLY 86 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2aw2 s HIS 87 N -3.20 0.17 0.05 1.61 3.76 -0.87 -3.04 115.29 113.76 2aw2 s HIS 87 Ca 0.11 -0.36 0.05 0.00 -0.15 0.00 0.00 55.06 54.71 2aw2 s HIS 87 Cb -0.05 -0.13 -0.02 0.00 1.11 0.00 0.00 32.58 33.49 2aw2 s HIS 87 CO 0.42 -0.24 -0.15 -0.59 -0.85 0.00 0.00 174.74 173.34 2aw2 s PHE 88 N -1.48 1.28 0.30 1.40 -0.71 -0.45 -4.73 117.98 113.59 2aw2 s PHE 88 Ca -0.15 -0.38 -0.29 0.00 -1.04 0.00 0.00 56.93 55.06 2aw2 s PHE 88 Cb -0.09 -0.75 -0.10 0.00 -1.21 0.00 0.00 43.02 40.88 2aw2 s PHE 88 CO -0.00 0.05 1.22 0.00 -1.34 0.00 0.00 175.22 175.15 2aw2 n ILE 90 N 1.13 0.13 -3.62 0.00 -5.35 -0.62 -4.91 119.36 106.12 2aw2 n ILE 90 Ca 0.00 -0.28 -0.14 0.00 -0.27 0.00 0.00 62.75 62.06 2aw2 n ILE 90 Cb 0.43 1.33 -0.13 0.00 -1.74 0.00 0.00 39.64 39.54 2aw2 n ILE 90 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 2aw2 s VAL 91 N -0.13 -0.42 0.65 7.28 1.01 -1.24 -4.98 120.40 122.57 2aw2 s VAL 91 Ca 0.00 0.21 0.02 0.00 0.00 0.00 0.00 61.98 62.21 2aw2 s VAL 91 Cb 0.00 -0.50 0.09 0.00 0.00 0.00 0.00 36.38 35.98 2aw2 s VAL 91 CO 0.00 0.06 0.90 -1.10 0.00 0.00 0.00 175.10 174.96 2aw2 s GLN 92 N 2.42 2.02 0.00 2.72 -1.52 -1.26 -1.59 119.66 122.44 2aw2 s GLN 92 Ca 0.03 -1.12 0.00 0.00 -1.95 0.00 0.00 55.36 52.32 2aw2 s GLN 92 Cb -0.13 -2.43 0.00 0.00 -0.22 0.00 0.00 33.01 30.23 2aw2 s GLN 92 CO -0.09 -1.14 0.00 -3.47 -0.25 0.00 0.00 175.29 170.34 2aw2 n ASP 95 N -2.59 0.00 -1.61 5.90 2.03 -1.26 -4.49 116.55 114.53 2aw2 n ASP 95 Ca 0.13 0.00 -0.02 0.00 0.52 0.00 0.00 54.79 55.42 2aw2 n ASP 95 Cb 0.60 0.00 -0.01 0.00 -0.72 0.00 0.00 41.12 41.00 2aw2 n ASP 95 CO 0.00 0.00 0.00 1.57 -1.92 0.00 0.00 177.20 176.85 2aw2 n HIS 96 N -2.96 0.00 -2.74 -0.67 -0.00 -1.26 -5.14 115.22 102.45 2aw2 n HIS 96 Ca 0.00 -0.22 -0.41 0.00 0.46 0.00 0.00 57.72 57.55 2aw2 n HIS 96 Cb 0.00 0.00 -0.04 0.00 -0.12 0.00 0.00 29.99 29.83 2aw2 n HIS 96 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2aw2 n ALA 98 N 2.77 2.48 -3.61 0.00 0.00 -0.62 -4.77 120.51 116.76 2aw2 n ALA 98 Ca 0.02 -0.26 -0.12 0.00 0.00 0.00 0.00 53.44 53.08 2aw2 n ALA 98 Cb 0.49 -0.13 -0.06 0.00 0.00 0.00 0.00 19.45 19.74 2aw2 n ALA 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2aw2 s ALA 99 N -0.97 -1.89 0.07 0.00 0.00 -1.26 -4.97 121.76 112.73 2aw2 s ALA 99 Ca 0.03 1.78 0.05 0.00 0.00 0.00 0.00 51.96 53.82 2aw2 s ALA 99 Cb 0.03 -1.05 -0.03 0.00 0.00 0.00 0.00 23.12 22.07 2aw2 s ALA 99 CO 0.11 -0.29 -0.13 0.00 0.00 0.00 0.00 175.76 175.45 2aw2 s ARG 101 N -1.80 2.42 0.56 0.00 3.52 -0.79 -4.27 118.95 118.59 2aw2 s ARG 101 Ca -0.02 -1.06 -0.11 0.00 -0.13 0.00 0.00 55.73 54.41 2aw2 s ARG 101 Cb -0.09 -2.39 -0.05 0.00 -1.56 0.00 0.00 34.95 30.86 2aw2 s ARG 101 CO 0.02 0.47 0.95 0.00 -0.81 0.00 0.00 175.30 175.93 2aw2 s ALA 102 N -1.65 3.18 -2.00 6.12 0.00 -1.26 -1.34 121.76 124.81 2aw2 s ALA 102 Ca 0.27 -0.15 0.26 0.00 0.00 0.00 0.00 51.96 52.34 2aw2 s ALA 102 Cb -0.10 -2.95 1.54 0.00 0.00 0.00 0.00 23.12 21.61 2aw2 s ALA 102 CO 0.18 -0.49 1.90 0.66 0.00 0.00 0.00 175.76 178.01