#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2or8 s ASP 2 N 0.00 6.22 0.03 6.12 1.11 -1.26 -4.98 116.67 123.91 2or8 s ASP 2 Ca 0.00 -1.24 -0.13 0.00 0.18 0.00 0.00 52.55 51.36 2or8 s ASP 2 Cb 0.00 -2.38 0.02 0.00 1.07 0.00 0.00 42.92 41.63 2or8 s ASP 2 CO 0.00 -1.30 0.29 -0.55 1.18 0.00 0.00 175.17 174.79 2or8 s SER 3 N 3.65 -0.11 0.33 0.27 0.15 -1.26 -5.18 113.70 111.55 2or8 s SER 3 Ca 0.19 -0.16 0.06 0.00 0.70 0.00 0.00 55.95 56.75 2or8 s SER 3 Cb -0.18 0.34 -0.06 0.00 -1.71 0.00 0.00 66.02 64.40 2or8 s SER 3 CO 0.07 -0.57 -0.01 -0.31 1.20 0.00 0.00 173.24 173.62 2or8 s TYR 4 N -2.28 2.12 -0.09 3.44 2.02 -1.26 -4.82 117.35 116.48 2or8 s TYR 4 Ca -0.07 -0.75 -0.30 0.00 -0.37 0.00 0.00 57.07 55.58 2or8 s TYR 4 Cb -0.02 -1.33 -0.02 0.00 -0.40 0.00 0.00 41.96 40.19 2or8 s TYR 4 CO -0.02 0.27 1.04 0.08 -1.57 0.00 0.00 175.55 175.35 2or8 s VAL 5 N -2.99 4.69 -0.05 0.71 1.01 -0.70 -4.87 120.40 118.20 2or8 s VAL 5 Ca 0.33 1.96 -0.18 0.00 0.00 0.00 0.00 61.98 64.09 2or8 s VAL 5 Cb 0.06 -4.26 -0.05 0.00 0.00 0.00 0.00 36.38 32.13 2or8 s VAL 5 CO 0.15 0.01 0.50 -1.61 0.00 0.00 0.00 175.10 174.15 2or8 s GLU 6 N 2.02 4.23 -0.02 2.72 2.02 -1.26 -0.65 118.70 127.76 2or8 s GLU 6 Ca 0.50 0.54 0.03 0.00 0.02 0.00 0.00 54.97 56.06 2or8 s GLU 6 Cb -0.20 -3.35 0.00 0.00 0.10 0.00 0.00 34.13 30.69 2or8 s GLU 6 CO 0.19 0.37 -0.09 0.08 0.02 0.00 0.00 175.26 175.83 2or8 s VAL 7 N -0.11 0.79 -0.11 2.63 1.01 -0.45 -4.93 120.40 119.22 2or8 s VAL 7 Ca 0.27 -0.37 0.02 0.00 0.00 0.00 0.00 61.98 61.91 2or8 s VAL 7 Cb -0.17 -0.70 0.01 0.00 0.00 0.00 0.00 36.38 35.53 2or8 s VAL 7 CO 0.14 0.24 -0.18 -0.54 0.00 0.00 0.00 175.10 174.76 2or8 s LYS 8 N 0.17 2.48 0.15 2.72 1.02 -1.26 -1.50 119.74 123.51 2or8 s LYS 8 Ca -0.03 -0.66 0.06 0.00 0.02 0.00 0.00 55.97 55.37 2or8 s LYS 8 Cb -0.08 -2.04 -0.04 0.00 -0.52 0.00 0.00 37.83 35.14 2or8 s LYS 8 CO 0.00 -0.02 -0.14 0.20 -0.92 0.00 0.00 175.35 174.47 2or8 s GLY 9 N 0.86 1.18 -0.10 -3.33 0.00 -0.43 -4.96 107.32 100.53 2or8 s GLY 9 Ca -0.08 -1.41 0.01 0.00 0.00 0.00 0.00 44.72 43.23 2or8 s GLY 9 CO -0.00 -1.49 -0.12 -1.34 0.00 0.00 0.00 173.10 170.15 2or8 s VAL 10 N -2.45 3.19 0.23 1.40 -7.23 -1.26 -2.34 120.40 111.94 2or8 s VAL 10 Ca 0.13 -0.64 -0.27 0.00 -1.81 0.00 0.00 61.98 59.39 2or8 s VAL 10 Cb -0.03 -2.31 -0.16 0.00 0.56 0.00 0.00 36.38 34.43 2or8 s VAL 10 CO 0.04 0.55 0.58 0.52 -0.31 0.00 0.00 175.10 176.48 2or8 n VAL 11 N 3.00 1.92 0.00 1.32 0.31 -0.63 -1.81 118.33 122.43 2or8 n VAL 11 Ca -0.18 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.65 2or8 n VAL 11 Cb 0.53 -0.19 0.00 0.00 -0.91 0.00 0.00 33.84 33.26 2or8 n VAL 11 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2or8 n GLY 12 N 1.87 3.01 3.59 2.92 0.00 -0.63 -4.69 105.19 111.26 2or8 n GLY 12 Ca 0.16 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.91 2or8 n GLY 12 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2or8 s HIS 13 N -1.62 2.69 0.32 1.61 4.02 -0.75 -4.68 115.29 116.87 2or8 s HIS 13 Ca 0.00 -0.20 -0.29 0.00 1.02 0.00 0.00 55.06 55.59 2or8 s HIS 13 Cb 0.00 -1.33 -0.10 0.00 -1.02 0.00 0.00 32.58 30.13 2or8 s HIS 13 CO 0.00 0.50 1.34 -2.14 1.02 0.00 0.00 174.74 175.46 2or8 s PRO 14 N -2.73 4.32 -0.06 8.40 0.02 -1.26 -2.64 135.00 141.05 2or8 s PRO 14 Ca 0.25 2.25 0.05 0.00 0.02 0.00 0.00 61.00 63.56 2or8 s PRO 14 Cb -0.09 -3.07 -0.02 0.00 0.02 0.00 0.00 34.50 31.33 2or8 s PRO 14 CO 0.15 -0.25 -0.20 0.54 -0.33 0.00 0.00 177.00 176.91 2or8 s VAL 15 N -0.89 2.54 -0.08 3.83 0.11 -1.06 -4.88 120.40 119.96 2or8 s VAL 15 Ca 0.51 -0.90 0.03 0.00 -2.93 0.00 0.00 61.98 58.69 2or8 s VAL 15 Cb -0.40 -1.96 -0.02 0.00 -1.53 0.00 0.00 36.38 32.46 2or8 s VAL 15 CO 0.51 0.57 -0.15 -0.89 -3.33 0.00 0.00 175.10 171.81 2or8 s THR 16 N -0.35 2.93 -0.43 5.04 2.01 -1.26 -1.73 115.64 121.85 2or8 s THR 16 Ca 0.03 -0.75 -0.10 0.00 0.31 0.00 0.00 61.69 61.18 2or8 s THR 16 Cb -0.12 -2.17 0.08 0.00 0.01 0.00 0.00 72.50 70.30 2or8 s THR 16 CO 0.02 0.57 0.28 -0.76 -0.69 0.00 0.00 174.62 174.03 2or8 s LEU 17 N -0.31 5.23 -0.11 4.42 1.43 0.73 -4.96 118.68 125.11 2or8 s LEU 17 Ca 0.02 -1.52 -0.29 0.00 -1.03 0.00 0.00 54.13 51.31 2or8 s LEU 17 Cb -0.13 -2.01 -0.04 0.00 0.03 0.00 0.00 46.19 44.05 2or8 s LEU 17 CO 0.03 -0.56 1.59 -2.84 0.23 0.00 0.00 176.35 174.80 2or8 s PRO 18 N 1.44 4.10 -0.10 1.29 0.02 -1.26 -1.40 135.00 139.09 2or8 s PRO 18 Ca 0.03 2.00 -0.04 0.00 0.02 0.00 0.00 61.00 63.01 2or8 s PRO 18 Cb -0.23 -3.96 0.05 0.00 0.02 0.00 0.00 34.50 30.37 2or8 s PRO 18 CO 0.02 -0.92 0.19 0.00 -0.33 0.00 0.00 177.00 175.95 2or8 s THR 20 N 2.32 0.18 0.01 0.00 -4.23 -1.26 -0.71 115.64 111.95 2or8 s THR 20 Ca 0.03 -1.85 -0.17 0.00 -1.18 0.00 0.00 61.69 58.51 2or8 s THR 20 Cb -0.12 -1.72 0.03 0.00 1.34 0.00 0.00 72.50 72.03 2or8 s THR 20 CO -0.06 -0.79 0.38 -0.72 -0.54 0.00 0.00 174.62 172.88 2or8 s TYR 21 N -3.97 -0.25 0.09 3.99 -0.85 -0.88 -4.98 117.35 110.52 2or8 s TYR 21 Ca 0.14 0.30 -0.27 0.00 -0.52 0.00 0.00 57.07 56.72 2or8 s TYR 21 Cb 0.08 0.17 -0.06 0.00 0.38 0.00 0.00 41.96 42.52 2or8 s TYR 21 CO -0.05 -0.49 0.83 0.45 -1.52 0.00 0.00 175.55 174.77 2or8 s SER 22 N -1.64 7.35 -0.29 -0.18 0.15 -1.26 -4.49 113.70 113.33 2or8 s SER 22 Ca -0.09 1.61 0.05 0.00 0.70 0.00 0.00 55.95 58.22 2or8 s SER 22 Cb -0.03 -2.52 0.55 0.00 -1.71 0.00 0.00 66.02 62.32 2or8 s SER 22 CO 0.02 0.03 1.63 0.35 1.20 0.00 0.00 173.24 176.46 2or8 n THR 23 N 2.55 2.51 0.30 6.45 -2.24 -1.26 -4.47 114.28 118.12 2or8 n THR 23 Ca -0.02 -1.34 0.20 0.00 -2.27 0.00 0.00 64.05 60.62 2or8 n THR 23 Cb 0.49 -0.51 1.08 0.00 -2.10 0.00 0.00 70.33 69.29 2or8 n THR 23 CO 0.00 0.00 0.00 0.10 -0.57 0.00 0.00 175.07 174.60 2or8 h TYR 24 N 1.49 0.00 -0.16 4.78 -0.00 -1.96 0.30 116.97 121.42 2or8 h TYR 24 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 58.73 59.07 2or8 h TYR 24 Cb 2.19 0.00 0.00 0.00 0.00 0.00 0.00 36.73 38.92 2or8 h TYR 24 CO 1.10 0.00 0.00 0.54 -0.00 0.00 0.00 178.16 179.80 2or8 n ARG 25 N -2.92 2.33 0.00 0.10 5.12 -1.26 -5.08 116.66 114.95 2or8 n ARG 25 Ca -0.02 -2.60 0.00 0.00 -1.93 0.00 0.00 57.85 53.29 2or8 n ARG 25 Cb 0.08 -1.62 0.00 0.00 -1.16 0.00 0.00 32.46 29.75 2or8 n ARG 25 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2or8 n GLY 26 N -0.76 0.59 3.49 -0.13 0.00 0.11 -5.03 105.19 103.45 2or8 n GLY 26 Ca 0.17 -1.76 -0.32 0.00 0.00 0.00 0.00 46.02 44.11 2or8 n GLY 26 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2or8 n ILE 27 N 0.66 0.00 -3.73 -0.61 2.08 -1.26 -4.67 119.36 111.83 2or8 n ILE 27 Ca 0.00 -0.14 -0.05 0.00 0.56 0.00 0.00 62.75 63.13 2or8 n ILE 27 Cb 0.00 -0.74 -0.02 0.00 -0.75 0.00 0.00 39.64 38.13 2or8 n ILE 27 CO 0.00 0.00 0.00 0.28 0.56 0.00 0.00 176.55 177.39 2or8 s THR 28 N -2.47 0.00 0.43 1.39 -1.32 -1.26 -5.07 115.64 107.34 2or8 s THR 28 Ca 0.60 -0.60 -0.14 0.00 -1.21 0.00 0.00 61.69 60.34 2or8 s THR 28 Cb -0.22 -1.84 -0.08 0.00 -1.51 0.00 0.00 72.50 68.86 2or8 s THR 28 CO 0.65 0.00 0.85 0.42 -2.21 0.00 0.00 174.62 174.32 2or8 s THR 29 N -3.36 4.65 -0.04 5.08 -4.23 -1.26 -4.05 115.64 112.43 2or8 s THR 29 Ca 0.11 0.95 -0.05 0.00 -1.18 0.00 0.00 61.69 61.51 2or8 s THR 29 Cb -0.02 -3.69 0.01 0.00 1.34 0.00 0.00 72.50 70.14 2or8 s THR 29 CO 0.01 -0.50 0.13 -0.89 -0.54 0.00 0.00 174.62 172.84 2or8 s THR 30 N -2.36 0.02 0.12 3.99 2.01 -1.26 -1.53 115.64 116.63 2or8 s THR 30 Ca 0.55 -0.16 0.07 0.00 0.31 0.00 0.00 61.69 62.47 2or8 s THR 30 Cb -0.10 -0.24 -0.04 0.00 0.01 0.00 0.00 72.50 72.13 2or8 s THR 30 CO 0.27 -0.09 -0.18 0.00 -0.69 0.00 0.00 174.62 173.93 2or8 s TRP 32 N -1.60 2.20 0.03 0.00 0.52 0.35 -1.99 118.94 118.45 2or8 s TRP 32 Ca 0.08 -0.41 -0.09 0.00 0.02 0.00 0.00 56.10 55.71 2or8 s TRP 32 Cb -0.08 -1.37 0.00 0.00 -1.15 0.00 0.00 33.47 30.87 2or8 s TRP 32 CO 0.04 0.03 0.18 0.20 0.02 0.00 0.00 176.95 177.42 2or8 s GLY 33 N -0.86 0.05 -0.03 0.98 0.00 -0.05 0.91 107.32 108.32 2or8 s GLY 33 Ca 0.10 -0.27 -0.19 0.00 0.00 0.00 0.00 44.72 44.36 2or8 s GLY 33 CO 0.00 -0.44 0.52 -1.60 0.00 0.00 0.00 173.10 171.58 2or8 s ARG 34 N -2.36 4.23 0.00 2.90 3.52 -0.97 0.20 118.95 126.47 2or8 s ARG 34 Ca -0.07 0.58 0.00 0.00 -0.13 0.00 0.00 55.73 56.12 2or8 s ARG 34 Cb -0.02 -3.34 0.00 0.00 -1.56 0.00 0.00 34.95 30.03 2or8 s ARG 34 CO -0.03 0.40 0.00 0.41 -0.81 0.00 0.00 175.30 175.27 2or8 n GLY 35 N 2.49 1.58 3.76 8.12 0.00 0.24 -4.28 105.19 117.10 2or8 n GLY 35 Ca -0.09 -2.05 -0.36 0.00 0.00 0.00 0.00 46.02 43.52 2or8 n GLY 35 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2or8 s GLN 36 N -1.94 3.29 -0.09 1.61 0.74 -1.26 -3.23 119.66 118.78 2or8 s GLN 36 Ca 0.00 1.81 -0.29 0.00 0.05 0.00 0.00 55.36 56.92 2or8 s GLN 36 Cb 0.00 -2.11 -0.06 0.00 1.10 0.00 0.00 33.01 31.94 2or8 s GLN 36 CO 0.00 -0.95 1.84 0.00 -0.55 0.00 0.00 175.29 175.63 2or8 n PRO 38 N 7.66 0.00 0.01 0.00 -0.04 -1.26 -5.06 135.00 136.30 2or8 n PRO 38 Ca 0.20 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.66 2or8 n PRO 38 Cb 0.43 -0.01 0.00 0.00 -0.04 0.00 0.00 33.50 33.88 2or8 n PRO 38 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2or8 n SER 39 N -0.15 0.01 -4.16 3.54 3.41 -1.26 -5.03 113.62 109.98 2or8 n SER 39 Ca 0.00 0.03 -0.34 0.00 -0.26 0.00 0.00 58.87 58.31 2or8 n SER 39 Cb 0.00 0.02 -0.15 0.00 -0.26 0.00 0.00 64.21 63.82 2or8 n SER 39 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2or8 s SER 40 N -5.02 4.22 0.65 4.04 0.15 -1.26 -5.00 113.70 111.48 2or8 s SER 40 Ca 0.00 -0.99 0.00 0.00 0.70 0.00 0.00 55.95 55.66 2or8 s SER 40 Cb 0.00 -1.62 0.00 0.00 -1.71 0.00 0.00 66.02 62.69 2or8 s SER 40 CO 0.00 -0.13 0.00 0.00 1.20 0.00 0.00 173.24 174.31 2or8 n ALA 41 N 4.60 0.00 -2.42 5.45 0.00 -1.26 -4.82 120.51 122.06 2or8 n ALA 41 Ca -0.16 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 52.93 2or8 n ALA 41 Cb 0.46 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.85 2or8 n ALA 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2or8 s GLN 43 N -2.03 3.89 -0.63 0.00 -2.07 -1.26 -4.25 119.66 113.32 2or8 s GLN 43 Ca 0.37 -0.28 -0.03 0.00 -1.82 0.00 0.00 55.36 53.61 2or8 s GLN 43 Cb -0.14 -3.25 0.00 0.00 -1.09 0.00 0.00 33.01 28.53 2or8 s GLN 43 CO 0.19 0.39 0.54 0.09 -1.32 0.00 0.00 175.29 175.19 2or8 n ASN 44 N 3.19 -3.67 -4.50 12.60 3.02 -1.26 -2.60 115.26 122.04 2or8 n ASN 44 Ca -0.17 -0.26 -0.57 0.00 -0.03 0.00 0.00 54.58 53.55 2or8 n ASN 44 Cb 0.53 -2.65 -0.07 0.00 -0.61 0.00 0.00 39.78 36.97 2or8 n ASN 44 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 2or8 n THR 45 N -3.45 0.29 -0.04 3.41 -1.04 -1.26 -2.30 114.28 109.89 2or8 n THR 45 Ca -0.02 -0.07 -0.04 0.00 -2.04 0.00 0.00 64.05 61.87 2or8 n THR 45 Cb 0.54 -0.10 -0.05 0.00 -1.82 0.00 0.00 70.33 68.90 2or8 n THR 45 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 2or8 n LEU 46 N 1.67 1.23 -3.89 -4.42 4.77 0.26 -4.69 117.00 111.93 2or8 n LEU 46 Ca 0.19 -0.02 -0.10 0.00 -0.03 0.00 0.00 56.01 56.06 2or8 n LEU 46 Cb 0.12 -0.03 -0.09 0.00 -2.33 0.00 0.00 43.42 41.09 2or8 n LEU 46 CO 0.60 0.36 -0.16 -0.63 -1.33 0.00 0.00 177.39 176.23 2or8 s ILE 47 N -2.17 0.12 -0.09 -0.08 -1.09 -1.07 -0.34 121.20 116.48 2or8 s ILE 47 Ca -0.07 -1.00 -0.07 0.00 -2.23 0.00 0.00 60.65 57.29 2or8 s ILE 47 Cb 0.02 -0.89 0.03 0.00 -1.58 0.00 0.00 42.46 40.05 2or8 s ILE 47 CO 0.24 -0.55 0.23 0.26 -1.23 0.00 0.00 174.94 173.89 2or8 s TRP 48 N -2.56 -0.27 0.27 3.97 0.52 -0.44 -0.50 118.94 119.93 2or8 s TRP 48 Ca -0.05 0.67 0.11 0.00 0.02 0.00 0.00 56.10 56.85 2or8 s TRP 48 Cb -0.01 0.06 -0.05 0.00 -1.15 0.00 0.00 33.47 32.32 2or8 s TRP 48 CO -0.04 -0.16 -0.16 0.95 0.02 0.00 0.00 176.95 177.56 2or8 s THR 49 N 0.57 2.68 -1.10 2.01 -4.23 0.04 -0.68 115.64 114.93 2or8 s THR 49 Ca -0.04 -2.28 0.19 0.00 -1.18 0.00 0.00 61.69 58.38 2or8 s THR 49 Cb -0.05 -2.40 -0.16 0.00 1.34 0.00 0.00 72.50 71.22 2or8 s THR 49 CO -0.03 -0.38 0.84 -0.46 -0.54 0.00 0.00 174.62 174.05 2or8 n ASN 50 N -0.63 1.11 0.00 3.99 6.94 -0.99 -4.03 115.26 121.66 2or8 n ASN 50 Ca -0.06 -1.05 0.00 0.00 -0.02 0.00 0.00 54.58 53.45 2or8 n ASN 50 Cb 0.60 0.88 0.00 0.00 -2.36 0.00 0.00 39.78 38.90 2or8 n ASN 50 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2or8 n GLY 51 N 1.42 1.64 0.04 4.83 0.00 -1.26 -4.58 105.19 107.28 2or8 n GLY 51 Ca 0.05 -0.26 -0.05 0.00 0.00 0.00 0.00 46.02 45.76 2or8 n GLY 51 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2or8 n HIS 52 N 0.00 0.00 -4.06 1.61 8.25 -1.26 -4.00 115.22 115.76 2or8 n HIS 52 Ca 0.00 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.37 2or8 n HIS 52 Cb 0.00 -0.31 -0.09 0.00 1.12 0.00 0.00 29.99 30.71 2or8 n HIS 52 CO 0.00 0.00 0.00 -0.98 0.64 0.00 0.00 176.34 176.00 2or8 s ARG 53 N -2.16 0.98 0.22 -0.41 1.70 -1.26 -4.21 118.95 113.81 2or8 s ARG 53 Ca -0.08 -1.30 -0.30 0.00 -0.47 0.00 0.00 55.73 53.58 2or8 s ARG 53 Cb 0.03 0.29 -0.09 0.00 -0.57 0.00 0.00 34.95 34.61 2or8 s ARG 53 CO 0.21 -0.31 1.31 0.08 -1.08 0.00 0.00 175.30 175.51 2or8 s VAL 54 N -4.00 3.13 -0.11 4.99 1.01 -1.26 -2.34 120.40 121.82 2or8 s VAL 54 Ca 0.19 0.96 0.03 0.00 0.00 0.00 0.00 61.98 63.16 2or8 s VAL 54 Cb 0.06 -3.61 -0.04 0.00 0.00 0.00 0.00 36.38 32.79 2or8 s VAL 54 CO -0.01 0.16 0.12 0.35 0.00 0.00 0.00 175.10 175.72 2or8 n THR 55 N 2.31 0.00 -3.66 3.92 -2.24 0.14 -4.91 114.28 109.84 2or8 n THR 55 Ca 0.05 -0.33 -0.10 0.00 -2.27 0.00 0.00 64.05 61.40 2or8 n THR 55 Cb 0.43 0.84 -0.11 0.00 -2.10 0.00 0.00 70.33 69.39 2or8 n THR 55 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 2or8 s TYR 56 N -1.55 -0.65 -0.16 4.78 5.04 -0.94 -4.96 117.35 118.90 2or8 s TYR 56 Ca 0.01 1.31 -0.03 0.00 -2.44 0.00 0.00 57.07 55.92 2or8 s TYR 56 Cb 0.02 0.18 0.05 0.00 0.35 0.00 0.00 41.96 42.57 2or8 s TYR 56 CO 0.13 -0.43 0.05 1.14 -1.34 0.00 0.00 175.55 175.10 2or8 s GLN 57 N 2.50 0.39 0.61 4.97 -2.07 -1.26 -1.33 119.66 123.48 2or8 s GLN 57 Ca -0.01 -0.19 0.28 0.00 -1.82 0.00 0.00 55.36 53.62 2or8 s GLN 57 Cb -0.12 -1.79 1.38 0.00 -1.09 0.00 0.00 33.01 31.39 2or8 s GLN 57 CO -0.11 -0.60 1.79 -0.22 -1.32 0.00 0.00 175.29 174.84 2or8 h LYS 58 N 8.33 0.00 -1.76 9.60 1.63 -0.96 -3.43 116.57 129.98 2or8 h LYS 58 Ca -0.16 0.00 0.02 0.00 -0.85 0.00 0.00 60.65 59.66 2or8 h LYS 58 Cb 1.13 0.00 -0.21 0.00 -0.60 0.00 0.00 32.23 32.55 2or8 h LYS 58 CO 0.30 0.00 0.40 0.45 -3.45 0.00 0.00 179.45 177.15 2or8 s SER 59 N -4.77 -0.49 0.00 4.20 0.15 -1.26 -5.03 113.70 106.50 2or8 s SER 59 Ca -0.04 0.52 0.11 0.00 0.70 0.00 0.00 55.95 57.25 2or8 s SER 59 Cb 0.14 0.40 0.55 0.00 -1.71 0.00 0.00 66.02 65.40 2or8 s SER 59 CO 0.47 -0.46 1.26 -1.54 1.20 0.00 0.00 173.24 174.17 2or8 n SER 60 N 0.78 0.00 -0.08 5.45 3.41 -1.26 -1.94 113.62 119.98 2or8 n SER 60 Ca -0.14 0.17 0.15 0.00 -0.26 0.00 0.00 58.87 58.79 2or8 n SER 60 Cb 0.58 -0.31 0.70 0.00 -0.26 0.00 0.00 64.21 64.92 2or8 n SER 60 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2or8 n ARG 61 N -1.31 0.70 -3.88 4.33 1.74 -1.26 -4.70 116.66 112.29 2or8 n ARG 61 Ca 0.05 -0.16 -0.36 0.00 -0.77 0.00 0.00 57.85 56.61 2or8 n ARG 61 Cb 0.09 -1.50 -0.14 0.00 -1.02 0.00 0.00 32.46 29.90 2or8 n ARG 61 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 2or8 s TYR 62 N -2.41 3.05 -0.01 -1.55 4.12 -0.82 -0.51 117.35 119.22 2or8 s TYR 62 Ca 0.32 -1.12 -0.04 0.00 0.02 0.00 0.00 57.07 56.25 2or8 s TYR 62 Cb 0.20 -2.14 -0.00 0.00 -1.52 0.00 0.00 41.96 38.50 2or8 s TYR 62 CO 0.45 -0.60 0.08 -0.80 0.02 0.00 0.00 175.55 174.69 2or8 s ASN 63 N 1.44 0.04 -0.49 2.29 0.01 -0.65 -4.88 114.94 112.70 2or8 s ASN 63 Ca 0.03 -0.14 -0.11 0.00 -0.71 0.00 0.00 52.86 51.93 2or8 s ASN 63 Cb -0.16 0.18 0.12 0.00 0.41 0.00 0.00 41.25 41.80 2or8 s ASN 63 CO -0.02 -0.23 0.39 -0.76 -1.51 0.00 0.00 177.10 174.97 2or8 s LEU 64 N -0.89 5.84 0.00 0.60 1.02 -1.26 -0.53 118.68 123.46 2or8 s LEU 64 Ca -0.10 -1.87 0.19 0.00 0.02 0.00 0.00 54.13 52.37 2or8 s LEU 64 Cb -0.06 -2.07 0.53 0.00 0.02 0.00 0.00 46.19 44.61 2or8 s LEU 64 CO 0.00 -0.74 1.43 0.29 0.02 0.00 0.00 176.35 177.35 2or8 n LYS 65 N 5.01 2.20 -2.18 1.70 5.02 -1.26 -4.92 118.16 123.74 2or8 n LYS 65 Ca -0.10 -1.85 -0.17 0.00 -2.02 0.00 0.00 58.31 54.17 2or8 n LYS 65 Cb 0.41 -1.44 0.08 0.00 -0.02 0.00 0.00 35.03 34.06 2or8 n LYS 65 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2or8 n GLY 66 N 1.35 0.90 3.55 0.72 0.00 -1.26 -4.98 105.19 105.47 2or8 n GLY 66 Ca 0.18 -2.05 -0.42 0.00 0.00 0.00 0.00 46.02 43.74 2or8 n GLY 66 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2or8 s HIS 67 N -2.22 2.63 0.25 1.61 3.76 -1.26 -4.85 115.29 115.22 2or8 s HIS 67 Ca 0.50 -1.00 -0.02 0.00 -0.15 0.00 0.00 55.06 54.39 2or8 s HIS 67 Cb -0.03 -4.65 0.50 0.00 1.11 0.00 0.00 32.58 29.50 2or8 s HIS 67 CO 0.33 -1.87 1.75 0.82 -0.85 0.00 0.00 174.74 174.92 2or8 h ILE 68 N 6.54 0.71 0.00 0.60 2.04 -1.82 0.12 117.51 125.70 2or8 h ILE 68 Ca 0.22 -0.19 0.00 0.00 1.00 0.00 0.00 64.86 65.89 2or8 h ILE 68 Cb 1.00 0.10 0.00 0.00 -0.74 0.00 0.00 36.82 37.18 2or8 h ILE 68 CO 1.39 0.10 0.00 -1.54 0.00 0.00 0.00 178.15 178.11 2or8 n SER 69 N -4.92 0.44 0.12 1.72 3.41 -1.26 -2.30 113.62 110.84 2or8 n SER 69 Ca 0.16 0.59 0.12 0.00 -0.26 0.00 0.00 58.87 59.47 2or8 n SER 69 Cb 0.42 -0.69 0.03 0.00 -0.26 0.00 0.00 64.21 63.71 2or8 n SER 69 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 2or8 h GLU 70 N 0.00 0.00 0.00 4.33 4.39 -1.11 -3.48 114.58 118.71 2or8 h GLU 70 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2or8 h GLU 70 Cb 0.40 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.05 2or8 h GLU 70 CO 0.00 0.00 0.00 0.41 -1.16 0.00 0.00 179.01 178.26 2or8 n GLY 71 N 1.17 0.84 3.47 -3.84 0.00 -0.97 -4.53 105.19 101.32 2or8 n GLY 71 Ca 0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.60 2or8 n GLY 71 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2or8 s ASP 72 N -0.65 6.21 -0.35 1.61 -1.08 -1.06 -2.06 116.67 119.28 2or8 s ASP 72 Ca 0.00 -0.86 0.07 0.00 -0.52 0.00 0.00 52.55 51.24 2or8 s ASP 72 Cb 0.00 -2.42 0.55 0.00 -1.46 0.00 0.00 42.92 39.59 2or8 s ASP 72 CO 0.00 -1.38 1.60 1.33 0.52 0.00 0.00 175.17 177.24 2or8 n VAL 73 N 5.96 2.78 -1.88 1.11 0.24 0.12 -3.49 118.33 123.17 2or8 n VAL 73 Ca -0.03 -2.62 -0.42 0.00 -2.04 0.00 0.00 64.34 59.23 2or8 n VAL 73 Cb 0.46 -0.43 -0.02 0.00 -1.47 0.00 0.00 33.84 32.38 2or8 n VAL 73 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 2or8 s SER 74 N -2.24 6.51 -0.00 -1.34 0.01 -0.95 -4.61 113.70 111.09 2or8 s SER 74 Ca 0.49 2.75 -0.22 0.00 1.31 0.00 0.00 55.95 60.29 2or8 s SER 74 Cb 0.43 -2.61 -0.05 0.00 0.21 0.00 0.00 66.02 64.00 2or8 s SER 74 CO 0.03 -0.85 0.64 -0.22 0.41 0.00 0.00 173.24 173.25 2or8 s LEU 75 N 0.41 4.41 -0.19 2.44 2.96 -0.49 -4.16 118.68 124.05 2or8 s LEU 75 Ca 0.67 1.22 0.01 0.00 -0.22 0.00 0.00 54.13 55.80 2or8 s LEU 75 Cb -0.45 -3.00 0.04 0.00 0.50 0.00 0.00 46.19 43.28 2or8 s LEU 75 CO 0.38 0.06 -0.11 -0.89 -1.32 0.00 0.00 176.35 174.47 2or8 s THR 76 N -0.05 1.65 -0.44 3.68 2.01 0.31 -0.19 115.64 122.60 2or8 s THR 76 Ca 0.33 -0.97 -0.21 0.00 0.31 0.00 0.00 61.69 61.15 2or8 s THR 76 Cb -0.19 -1.70 0.03 0.00 0.01 0.00 0.00 72.50 70.65 2or8 s THR 76 CO 0.18 0.21 0.65 -0.63 -0.69 0.00 0.00 174.62 174.34 2or8 s ILE 77 N 1.40 4.82 0.23 1.82 1.01 -0.71 -1.64 121.20 128.14 2or8 s ILE 77 Ca -0.01 0.09 -0.30 0.00 0.00 0.00 0.00 60.65 60.44 2or8 s ILE 77 Cb -0.16 -4.21 -0.09 0.00 0.01 0.00 0.00 42.46 38.01 2or8 s ILE 77 CO -0.09 -0.61 1.27 -1.61 0.00 0.00 0.00 174.94 173.91 2or8 s GLU 78 N 2.83 4.42 -0.50 2.79 0.41 0.33 -2.57 118.70 126.41 2or8 s GLU 78 Ca 0.22 2.04 -0.24 0.00 -0.41 0.00 0.00 54.97 56.58 2or8 s GLU 78 Cb -0.14 -3.18 0.03 0.00 -1.78 0.00 0.00 34.13 29.07 2or8 s GLU 78 CO 0.19 -0.17 0.64 0.09 -0.49 0.00 0.00 175.26 175.52 2or8 n ASN 79 N 2.12 -6.55 -4.78 -0.19 4.13 -1.26 -4.93 115.26 103.80 2or8 n ASN 79 Ca 0.04 0.04 -0.32 0.00 1.68 0.00 0.00 54.58 56.01 2or8 n ASN 79 Cb 0.43 -3.35 0.05 0.00 -1.54 0.00 0.00 39.78 35.37 2or8 n ASN 79 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 2or8 s SER 80 N -2.16 5.17 0.17 6.41 1.04 -1.08 -4.72 113.70 118.53 2or8 s SER 80 Ca 0.27 1.89 -0.00 0.00 0.48 0.00 0.00 55.95 58.59 2or8 s SER 80 Cb -0.04 -2.54 -0.04 0.00 0.10 0.00 0.00 66.02 63.50 2or8 s SER 80 CO 0.83 -1.58 0.06 0.68 0.98 0.00 0.00 173.24 174.20 2or8 s VAL 81 N -2.54 0.28 0.47 5.02 -7.23 -1.26 -1.60 120.40 113.54 2or8 s VAL 81 Ca 0.64 -1.95 0.25 0.00 -1.81 0.00 0.00 61.98 59.11 2or8 s VAL 81 Cb -0.18 -2.20 0.44 0.00 0.56 0.00 0.00 36.38 34.99 2or8 s VAL 81 CO 0.44 -0.35 1.85 -0.33 -0.31 0.00 0.00 175.10 176.41 2or8 h GLU 82 N 2.73 0.20 -0.27 4.82 3.07 -1.95 0.27 114.58 123.45 2or8 h GLU 82 Ca -0.36 -0.01 0.08 0.00 -0.50 0.00 0.00 59.36 58.57 2or8 h GLU 82 Cb 1.21 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 29.07 2or8 h GLU 82 CO 0.59 0.14 0.21 0.77 -1.40 0.00 0.00 179.01 179.32 2or8 h SER 83 N 0.21 0.00 1.55 1.42 0.02 -1.95 -2.43 113.55 112.37 2or8 h SER 83 Ca 0.47 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.41 2or8 h SER 83 Cb 1.51 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 64.04 2or8 h SER 83 CO -0.11 0.00 -0.09 0.44 -1.14 0.00 0.00 176.83 175.93 2or8 h ASP 84 N 0.00 0.00 -2.86 3.07 3.32 -1.31 -3.46 116.42 115.18 2or8 h ASP 84 Ca 0.13 0.00 -0.59 0.00 0.02 0.00 0.00 57.03 56.59 2or8 h ASP 84 Cb 0.55 0.00 0.11 0.00 0.22 0.00 0.00 39.33 40.20 2or8 h ASP 84 CO -0.00 0.09 0.37 -1.20 -1.72 0.00 0.00 179.24 176.78 2or8 n SER 85 N -3.15 2.16 0.00 6.45 7.64 -0.92 -4.84 113.62 120.96 2or8 n SER 85 Ca 0.02 1.19 0.00 0.00 1.01 0.00 0.00 58.87 61.09 2or8 n SER 85 Cb 0.48 -1.39 0.00 0.00 -1.01 0.00 0.00 64.21 62.29 2or8 n SER 85 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2or8 n GLY 86 N 1.16 -0.21 3.85 0.23 0.00 -0.52 -4.98 105.19 104.72 2or8 n GLY 86 Ca 0.08 -1.54 -0.34 0.00 0.00 0.00 0.00 46.02 44.21 2or8 n GLY 86 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2or8 s LEU 87 N 0.00 4.29 0.03 0.99 1.43 -1.26 -0.61 118.68 123.55 2or8 s LEU 87 Ca 0.00 1.06 0.02 0.00 -1.03 0.00 0.00 54.13 54.18 2or8 s LEU 87 Cb 0.00 -3.41 -0.02 0.00 0.03 0.00 0.00 46.19 42.80 2or8 s LEU 87 CO 0.00 0.05 -0.08 -0.31 0.23 0.00 0.00 176.35 176.24 2or8 s TYR 88 N -1.57 0.68 -0.12 0.29 1.51 0.12 -0.60 117.35 117.67 2or8 s TYR 88 Ca 0.41 -0.36 0.03 0.00 -1.01 0.00 0.00 57.07 56.14 2or8 s TYR 88 Cb -0.14 -0.41 0.01 0.00 -0.11 0.00 0.00 41.96 41.31 2or8 s TYR 88 CO 0.20 -0.05 -0.20 0.00 -1.11 0.00 0.00 175.55 174.39 2or8 s ARG 91 N 1.38 3.08 -0.26 0.00 3.52 -0.84 -1.45 118.95 124.36 2or8 s ARG 91 Ca 0.04 -0.82 -0.04 0.00 -0.13 0.00 0.00 55.73 54.77 2or8 s ARG 91 Cb -0.15 -2.49 0.01 0.00 -1.56 0.00 0.00 34.95 30.76 2or8 s ARG 91 CO -0.06 -0.01 -0.00 0.08 -0.81 0.00 0.00 175.30 174.50 2or8 s VAL 92 N 0.83 3.38 -0.78 7.11 1.01 0.33 -2.42 120.40 129.86 2or8 s VAL 92 Ca -0.06 -0.83 -0.26 0.00 0.00 0.00 0.00 61.98 60.83 2or8 s VAL 92 Cb -0.15 -2.71 0.00 0.00 0.00 0.00 0.00 36.38 33.52 2or8 s VAL 92 CO -0.02 0.17 1.63 -1.61 0.00 0.00 0.00 175.10 175.28 2or8 s GLU 93 N 1.41 2.95 0.18 2.72 2.02 -0.58 -1.13 118.70 126.27 2or8 s GLU 93 Ca 0.02 -0.13 0.03 0.00 0.02 0.00 0.00 54.97 54.91 2or8 s GLU 93 Cb -0.17 -4.63 -0.03 0.00 0.10 0.00 0.00 34.13 29.40 2or8 s GLU 93 CO -0.01 -2.60 0.32 0.96 0.02 0.00 0.00 175.26 173.95 2or8 s ILE 94 N 7.57 5.29 0.53 -1.63 -4.36 -1.26 -4.40 121.20 122.94 2or8 s ILE 94 Ca 0.55 -0.71 -0.19 0.00 -0.26 0.00 0.00 60.65 60.04 2or8 s ILE 94 Cb -0.08 -3.77 -0.11 0.00 1.25 0.00 0.00 42.46 39.75 2or8 s ILE 94 CO 0.09 -0.17 0.39 -2.65 0.24 0.00 0.00 174.94 172.85 2or8 n PRO 95 N -0.79 0.42 0.00 0.37 -0.02 -1.26 -4.63 135.00 129.09 2or8 n PRO 95 Ca -0.07 0.16 0.00 0.00 -2.02 0.00 0.00 63.50 61.57 2or8 n PRO 95 Cb 0.55 -1.52 0.00 0.00 -0.02 0.00 0.00 33.50 32.50 2or8 n PRO 95 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2or8 n GLY 96 N 1.93 2.65 3.69 -1.23 0.00 -1.26 -4.83 105.19 106.14 2or8 n GLY 96 Ca 0.11 -1.89 -0.40 0.00 0.00 0.00 0.00 46.02 43.84 2or8 n GLY 96 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 2or8 s TRP 97 N -2.77 3.47 -1.37 1.61 -0.11 -1.26 -4.09 118.94 114.42 2or8 s TRP 97 Ca 0.00 1.07 -0.18 0.00 1.22 0.00 0.00 56.10 58.21 2or8 s TRP 97 Cb 0.00 -2.78 0.02 0.00 -1.50 0.00 0.00 33.47 29.21 2or8 s TRP 97 CO 0.00 -0.03 0.37 0.34 -4.62 0.00 0.00 176.95 173.01 2or8 n PHE 98 N 4.38 -1.35 -1.77 5.86 7.35 -1.26 -4.92 117.46 125.75 2or8 n PHE 98 Ca -0.02 0.34 0.06 0.00 -0.76 0.00 0.00 57.45 57.07 2or8 n PHE 98 Cb 0.51 -2.84 0.12 0.00 0.35 0.00 0.00 39.48 37.62 2or8 n PHE 98 CO 0.00 0.00 0.00 -1.71 -0.76 0.00 0.00 176.76 174.29 2or8 n ASN 99 N -2.52 1.45 -4.77 -2.13 5.15 -1.26 -5.12 115.26 106.06 2or8 n ASN 99 Ca -0.22 -3.02 -0.36 0.00 -0.60 0.00 0.00 54.58 50.38 2or8 n ASN 99 Cb 0.63 -0.41 -0.00 0.00 -0.53 0.00 0.00 39.78 39.47 2or8 n ASN 99 CO 0.00 0.00 0.00 -1.81 1.40 0.00 0.00 177.26 176.85 2or8 s ASP 100 N -2.57 5.95 -0.42 1.20 1.01 -1.26 -4.58 116.67 116.00 2or8 s ASP 100 Ca 0.31 2.30 -0.29 0.00 0.71 0.00 0.00 52.55 55.58 2or8 s ASP 100 Cb 0.31 -2.60 0.02 0.00 1.01 0.00 0.00 42.92 41.66 2or8 s ASP 100 CO -0.07 -1.07 1.20 -1.58 0.21 0.00 0.00 175.17 173.87 2or8 s GLN 101 N -2.91 3.78 -0.12 8.23 0.74 -0.29 -4.88 119.66 124.21 2or8 s GLN 101 Ca 0.67 0.81 -0.01 0.00 0.05 0.00 0.00 55.36 56.88 2or8 s GLN 101 Cb -0.28 -3.90 -0.02 0.00 1.10 0.00 0.00 33.01 29.91 2or8 s GLN 101 CO 0.33 -1.31 -0.08 0.15 -0.55 0.00 0.00 175.29 173.83 2or8 s LYS 102 N 4.38 3.33 -0.04 1.67 1.02 -1.26 -0.52 119.74 128.32 2or8 s LYS 102 Ca 0.51 -0.60 -0.01 0.00 0.02 0.00 0.00 55.97 55.90 2or8 s LYS 102 Cb -0.10 -2.72 0.03 0.00 -0.52 0.00 0.00 37.83 34.52 2or8 s LYS 102 CO 0.28 0.33 0.03 0.08 -0.92 0.00 0.00 175.35 175.15 2or8 s VAL 103 N 0.08 0.08 -0.14 3.17 1.01 -0.53 -5.01 120.40 119.05 2or8 s VAL 103 Ca -0.03 0.24 -0.06 0.00 0.00 0.00 0.00 61.98 62.14 2or8 s VAL 103 Cb -0.14 -0.26 -0.04 0.00 0.00 0.00 0.00 36.38 35.94 2or8 s VAL 103 CO 0.04 0.18 0.07 -0.89 0.00 0.00 0.00 175.10 174.50 2or8 s THR 104 N 1.70 4.92 0.11 3.92 2.01 -1.26 -0.64 115.64 126.39 2or8 s THR 104 Ca -0.01 -0.00 0.08 0.00 0.31 0.00 0.00 61.69 62.07 2or8 s THR 104 Cb -0.13 -3.16 -0.04 0.00 0.01 0.00 0.00 72.50 69.18 2or8 s THR 104 CO -0.03 0.54 -0.13 -0.36 -0.69 0.00 0.00 174.62 173.94 2or8 s PHE 105 N -0.33 2.65 -0.34 4.92 0.40 0.46 -1.72 117.98 124.03 2or8 s PHE 105 Ca 0.09 -0.20 0.03 0.00 -0.60 0.00 0.00 56.93 56.25 2or8 s PHE 105 Cb -0.12 -1.40 0.09 0.00 0.51 0.00 0.00 43.02 42.11 2or8 s PHE 105 CO 0.02 0.41 0.05 0.45 0.70 0.00 0.00 175.22 176.84 2or8 s SER 106 N -2.16 4.79 -0.07 1.36 0.15 0.18 0.16 113.70 118.10 2or8 s SER 106 Ca 0.20 -2.00 -0.09 0.00 0.70 0.00 0.00 55.95 54.76 2or8 s SER 106 Cb -0.11 -1.65 -0.05 0.00 -1.71 0.00 0.00 66.02 62.51 2or8 s SER 106 CO 0.12 -0.37 0.23 -0.22 1.20 0.00 0.00 173.24 174.20 2or8 s LEU 107 N 0.97 4.42 -0.12 3.45 0.20 0.22 -1.34 118.68 126.48 2or8 s LEU 107 Ca 0.07 0.63 -0.02 0.00 0.69 0.00 0.00 54.13 55.51 2or8 s LEU 107 Cb -0.20 -2.27 0.04 0.00 -0.43 0.00 0.00 46.19 43.33 2or8 s LEU 107 CO -0.07 0.37 0.01 -1.10 -0.29 0.00 0.00 176.35 175.27 2or8 s GLN 108 N -1.09 0.71 -0.30 1.98 -0.21 -0.56 -1.44 119.66 118.74 2or8 s GLN 108 Ca 0.19 -0.10 -0.02 0.00 0.02 0.00 0.00 55.36 55.44 2or8 s GLN 108 Cb -0.14 -1.41 0.05 0.00 1.00 0.00 0.00 33.01 32.51 2or8 s GLN 108 CO 0.08 -0.41 0.01 0.08 -2.12 0.00 0.00 175.29 172.92 2or8 s VAL 109 N 1.91 2.99 0.25 1.09 1.01 -1.25 -1.32 120.40 125.07 2or8 s VAL 109 Ca 0.03 -1.41 0.11 0.00 0.00 0.00 0.00 61.98 60.71 2or8 s VAL 109 Cb -0.14 -2.73 -0.05 0.00 0.00 0.00 0.00 36.38 33.46 2or8 s VAL 109 CO -0.06 -0.13 -0.12 -0.54 0.00 0.00 0.00 175.10 174.25 2or8 s LYS 110 N 1.25 1.94 0.44 2.72 1.02 -0.99 -3.87 119.74 122.24 2or8 s LYS 110 Ca -0.05 -1.53 -0.25 0.00 0.02 0.00 0.00 55.97 54.17 2or8 s LYS 110 Cb -0.20 -1.98 -0.08 0.00 -0.52 0.00 0.00 37.83 35.05 2or8 s LYS 110 CO -0.01 0.37 1.32 -2.14 -0.92 0.00 0.00 175.35 173.97 2or8 s PRO 111 N -3.34 3.78 0.30 -1.68 0.02 -1.26 -1.61 135.00 131.22 2or8 s PRO 111 Ca 0.28 2.19 0.15 0.00 0.02 0.00 0.00 61.00 63.64 2or8 s PRO 111 Cb -0.07 -2.64 0.36 0.00 0.02 0.00 0.00 34.50 32.17 2or8 s PRO 111 CO 0.16 -0.66 1.58 1.49 -0.33 0.00 0.00 177.00 179.24 2or8 h GLU 112 N 2.39 0.00 -3.87 5.54 4.81 -1.91 -3.43 114.58 118.11 2or8 h GLU 112 Ca -0.50 0.00 -0.44 0.00 -0.13 0.00 0.00 59.36 58.29 2or8 h GLU 112 Cb 1.26 0.00 -0.37 0.00 0.63 0.00 0.00 28.75 30.27 2or8 h GLU 112 CO 0.61 0.53 -0.77 -1.17 -0.73 0.00 0.00 179.01 177.48 2or8 s LEU 113 N -6.95 0.90 -0.31 1.64 2.96 -1.26 -5.11 118.68 110.55 2or8 s LEU 113 Ca 0.01 -0.12 -0.01 0.00 -0.22 0.00 0.00 54.13 53.79 2or8 s LEU 113 Cb 0.10 -0.49 0.06 0.00 0.50 0.00 0.00 46.19 46.37 2or8 s LEU 113 CO 0.73 -0.14 0.02 -0.69 -1.32 0.00 0.00 176.35 174.95 2or8 s VAL 114 N 1.58 2.92 0.24 1.68 1.01 -1.26 -5.07 120.40 121.50 2or8 s VAL 114 Ca -0.00 -1.55 -0.27 0.00 0.00 0.00 0.00 61.98 60.16 2or8 s VAL 114 Cb -0.13 -2.75 -0.17 0.00 0.00 0.00 0.00 36.38 33.33 2or8 s VAL 114 CO -0.04 -0.21 0.48 -2.65 0.00 0.00 0.00 175.10 172.69 2or8 n PRO 115 N 4.58 0.09 0.00 2.72 -0.02 -1.26 -5.23 135.00 135.88 2or8 n PRO 115 Ca -0.11 0.03 0.00 0.00 -2.02 0.00 0.00 63.50 61.40 2or8 n PRO 115 Cb 0.43 -1.06 0.00 0.00 -0.02 0.00 0.00 33.50 32.85 2or8 n PRO 115 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35