#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gya s LYS 4 N 0.00 3.22 -0.31 1.97 -2.85 -1.26 -5.03 119.74 115.48 2gya s LYS 4 Ca 0.00 0.24 -0.26 0.00 -1.00 0.00 0.00 55.97 54.95 2gya s LYS 4 Cb 0.00 -2.24 0.01 0.00 -2.06 0.00 0.00 37.83 33.53 2gya s LYS 4 CO 0.00 -0.56 0.91 -1.12 0.10 0.00 0.00 175.35 174.67 2gya s SER 5 N -4.23 6.79 1.03 0.03 0.01 -1.26 -5.03 113.70 111.04 2gya s SER 5 Ca 0.52 0.85 -0.11 0.00 1.31 0.00 0.00 55.95 58.52 2gya s SER 5 Cb -0.11 -2.46 0.21 0.00 0.21 0.00 0.00 66.02 63.87 2gya s SER 5 CO 0.47 -0.71 1.08 0.00 0.41 0.00 0.00 173.24 174.50 2gya s ALA 6 N 3.22 0.55 0.34 1.44 0.00 -1.26 -4.68 121.76 121.36 2gya s ALA 6 Ca 0.38 0.20 0.03 0.00 0.00 0.00 0.00 51.96 52.57 2gya s ALA 6 Cb -0.13 -3.33 0.64 0.00 0.00 0.00 0.00 23.12 20.30 2gya s ALA 6 CO 0.13 -3.25 1.96 0.00 0.00 0.00 0.00 175.76 174.60 2gya h ARG 7 N -2.21 0.85 -0.19 0.00 -0.00 -1.99 -0.14 114.38 110.70 2gya h ARG 7 Ca -0.52 -0.05 -0.10 0.00 -0.50 0.00 0.00 59.98 58.80 2gya h ARG 7 Cb 1.30 -0.19 -0.01 0.00 0.00 0.00 0.00 29.97 31.07 2gya h ARG 7 CO 0.47 0.56 -0.34 0.82 0.00 0.00 0.00 179.97 181.48 2gya h ILE 8 N 0.87 1.29 0.00 2.04 2.04 -1.98 -2.61 117.51 119.17 2gya h ILE 8 Ca 0.32 -1.40 -0.14 0.00 1.00 0.00 0.00 64.86 64.64 2gya h ILE 8 Cb 0.16 1.51 -0.02 0.00 -0.74 0.00 0.00 36.82 37.73 2gya h ILE 8 CO -0.10 0.43 -0.68 0.03 0.00 0.00 0.00 178.15 177.83 2gya h ARG 9 N 0.34 0.00 0.00 2.37 2.47 -1.44 -1.34 114.38 116.78 2gya h ARG 9 Ca 0.04 0.00 -0.09 0.00 -1.26 0.00 0.00 59.98 58.67 2gya h ARG 9 Cb 0.76 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.06 2gya h ARG 9 CO 0.06 0.68 -0.45 0.00 0.56 0.00 0.00 179.97 180.81 2gya h ARG 10 N 0.00 0.00 -0.02 0.04 3.08 -0.75 -2.19 114.38 114.53 2gya h ARG 10 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.04 2gya h ARG 10 Cb 1.20 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.25 2gya h ARG 10 CO 0.09 0.45 -0.06 0.00 -1.07 0.00 0.00 179.97 179.38 2gya n ALA 11 N -2.40 2.63 -2.17 0.04 0.00 -1.01 -4.95 120.51 112.65 2gya n ALA 11 Ca -0.01 -0.59 0.00 0.00 0.00 0.00 0.00 53.44 52.84 2gya n ALA 11 Cb 0.50 -0.95 0.00 0.00 0.00 0.00 0.00 19.45 19.00 2gya n ALA 11 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 2gya n THR 12 N 0.72 0.00 0.11 0.00 5.66 -0.52 -4.73 114.28 115.51 2gya n THR 12 Ca 0.15 0.00 -0.02 0.00 -3.05 0.00 0.00 64.05 61.13 2gya n THR 12 Cb 0.49 0.00 0.04 0.00 -1.55 0.00 0.00 70.33 69.31 2gya n THR 12 CO 0.00 0.00 0.00 0.08 -3.05 0.00 0.00 175.07 172.10 2gya h ARG 13 N 0.00 0.00 -6.93 1.09 0.11 -1.85 -3.45 114.38 103.34 2gya h ARG 13 Ca 0.00 0.00 -0.45 0.00 0.10 0.00 0.00 59.98 59.63 2gya h ARG 13 Cb 0.79 0.00 0.06 0.00 1.11 0.00 0.00 29.97 31.93 2gya h ARG 13 CO 0.00 0.73 0.02 0.00 0.10 0.00 0.00 179.97 180.82 2gya s ALA 14 N -3.11 3.81 -0.17 0.08 0.00 -1.26 -4.73 121.76 116.37 2gya s ALA 14 Ca 0.01 -1.41 -0.04 0.00 0.00 0.00 0.00 51.96 50.52 2gya s ALA 14 Cb 0.10 -2.09 0.07 0.00 0.00 0.00 0.00 23.12 21.21 2gya s ALA 14 CO 0.77 -0.96 0.16 -0.98 0.00 0.00 0.00 175.76 174.75 2gya s ARG 15 N -4.89 0.12 0.41 0.00 3.03 -1.26 -4.99 118.95 111.37 2gya s ARG 15 Ca 0.60 0.12 0.22 0.00 2.03 0.00 0.00 55.73 58.70 2gya s ARG 15 Cb -0.09 -1.36 0.41 0.00 -1.03 0.00 0.00 34.95 32.87 2gya s ARG 15 CO 0.40 -0.62 1.62 -0.09 -1.13 0.00 0.00 175.30 175.48 2gya h ARG 16 N 8.36 0.00 0.00 3.89 2.43 -2.00 -3.21 114.38 123.85 2gya h ARG 16 Ca -0.16 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 58.97 2gya h ARG 16 Cb 1.15 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.69 2gya h ARG 16 CO 0.27 0.14 -0.22 -0.22 -1.51 0.00 0.00 179.97 178.42 2gya h LYS 17 N 0.00 0.00 0.00 0.20 3.64 -2.01 -2.47 116.57 115.93 2gya h LYS 17 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2gya h LYS 17 Cb 1.03 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.85 2gya h LYS 17 CO 0.02 0.22 -0.48 1.28 -2.27 0.00 0.00 179.45 178.21 2gya n LEU 18 N -3.37 0.51 0.10 5.20 4.32 -1.21 -3.68 117.00 118.86 2gya n LEU 18 Ca 0.00 0.13 0.09 0.00 -0.02 0.00 0.00 56.01 56.21 2gya n LEU 18 Cb 0.44 -0.26 -0.01 0.00 -1.62 0.00 0.00 43.42 41.97 2gya n LEU 18 CO 0.33 0.05 0.00 1.56 -1.22 0.00 0.00 177.39 178.12 2gya h GLN 19 N 0.00 0.00 0.00 3.23 4.20 -1.53 -3.31 115.11 117.70 2gya h GLN 19 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2gya h GLN 19 Cb 0.58 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.36 2gya h GLN 19 CO 0.00 0.07 0.00 1.05 -0.67 0.00 0.00 178.83 179.28 2gya h GLU 20 N 0.00 0.00 0.02 1.46 4.11 -1.58 -3.17 114.58 115.43 2gya h GLU 20 Ca -0.03 0.00 -0.19 0.00 0.07 0.00 0.00 59.36 59.21 2gya h GLU 20 Cb 1.13 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.36 2gya h GLU 20 CO 0.01 0.00 -1.01 1.25 0.07 0.00 0.00 179.01 179.33 2gya h LEU 21 N 0.00 0.08 -0.17 3.06 5.85 -1.74 -3.50 115.31 118.89 2gya h LEU 21 Ca 0.00 -0.70 0.00 0.00 0.84 0.00 0.00 57.88 58.02 2gya h LEU 21 Cb 0.51 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.52 2gya h LEU 21 CO 0.00 1.41 0.00 0.61 -0.34 0.00 0.00 178.44 180.12 2gya n GLY 22 N 1.55 0.67 0.00 3.75 0.00 -1.20 -5.12 105.19 104.84 2gya n GLY 22 Ca -0.26 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.71 2gya n GLY 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gya n ALA 23 N -0.16 0.00 -2.63 4.61 0.00 -1.26 -5.11 120.51 115.96 2gya n ALA 23 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.14 2gya n ALA 23 Cb 0.05 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.43 2gya n ALA 23 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 2gya s THR 24 N 1.55 1.56 0.51 0.00 -1.32 -1.26 -4.42 115.64 112.25 2gya s THR 24 Ca 0.00 -1.88 0.01 0.00 -1.21 0.00 0.00 61.69 58.62 2gya s THR 24 Cb 0.00 -2.43 -0.01 0.00 -1.51 0.00 0.00 72.50 68.54 2gya s THR 24 CO 0.00 0.00 0.02 -0.13 -2.21 0.00 0.00 174.62 172.30 2gya s ARG 25 N -3.91 2.19 -0.41 7.08 0.52 -0.78 -2.95 118.95 120.69 2gya s ARG 25 Ca 0.21 -2.38 0.07 0.00 -0.52 0.00 0.00 55.73 53.10 2gya s ARG 25 Cb 0.03 -1.56 0.22 0.00 0.52 0.00 0.00 34.95 34.17 2gya s ARG 25 CO 0.11 -0.37 0.51 -0.11 0.02 0.00 0.00 175.30 175.47 2gya n LEU 26 N -1.28 -0.47 -4.77 2.53 7.94 0.13 -3.71 117.00 117.37 2gya n LEU 26 Ca -0.18 -4.39 -0.39 0.00 -1.11 0.00 0.00 56.01 49.93 2gya n LEU 26 Cb 0.67 0.64 -0.00 0.00 0.53 0.00 0.00 43.42 45.25 2gya n LEU 26 CO 0.38 2.00 0.95 -0.69 -1.11 0.00 0.00 177.39 178.92 2gya s VAL 27 N -0.57 2.65 -0.35 1.96 1.01 -0.94 -2.90 120.40 121.26 2gya s VAL 27 Ca 0.34 0.57 0.01 0.00 0.00 0.00 0.00 61.98 62.90 2gya s VAL 27 Cb 0.13 -3.33 0.11 0.00 0.00 0.00 0.00 36.38 33.29 2gya s VAL 27 CO -0.15 0.07 0.13 -0.69 0.00 0.00 0.00 175.10 174.46 2gya s VAL 28 N -1.29 1.35 0.14 2.92 1.01 -1.21 -1.80 120.40 121.52 2gya s VAL 28 Ca 0.58 -1.93 -0.19 0.00 0.00 0.00 0.00 61.98 60.44 2gya s VAL 28 Cb -0.37 -1.99 -0.07 0.00 0.00 0.00 0.00 36.38 33.94 2gya s VAL 28 CO 0.47 -0.72 0.63 -1.00 0.00 0.00 0.00 175.10 174.49 2gya s HIS 29 N 1.11 3.74 -0.06 5.22 3.76 -0.27 -4.82 115.29 123.97 2gya s HIS 29 Ca 0.12 1.30 0.00 0.00 -0.15 0.00 0.00 55.06 56.34 2gya s HIS 29 Cb -0.20 -2.54 0.02 0.00 1.11 0.00 0.00 32.58 30.98 2gya s HIS 29 CO -0.15 0.48 -0.04 -0.98 -0.85 0.00 0.00 174.74 173.20 2gya s ARG 30 N -1.52 0.86 0.04 1.40 1.70 -1.26 0.24 118.95 120.41 2gya s ARG 30 Ca 0.35 -0.08 0.08 0.00 -0.47 0.00 0.00 55.73 55.61 2gya s ARG 30 Cb -0.18 -0.94 -0.03 0.00 -0.57 0.00 0.00 34.95 33.23 2gya s ARG 30 CO 0.20 -0.14 -0.21 0.99 -1.08 0.00 0.00 175.30 175.06 2gya s THR 31 N 1.20 2.54 -1.53 4.99 2.01 0.28 -4.99 115.64 120.13 2gya s THR 31 Ca -0.07 -1.27 0.00 0.00 0.31 0.00 0.00 61.69 60.66 2gya s THR 31 Cb -0.14 -2.04 0.00 0.00 0.01 0.00 0.00 72.50 70.33 2gya s THR 31 CO -0.02 0.34 0.33 -0.81 -0.69 0.00 0.00 174.62 173.77 2gya n PRO 32 N 1.62 0.00 0.00 4.92 -0.04 -1.26 -1.92 135.00 138.33 2gya n PRO 32 Ca -0.16 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.30 2gya n PRO 32 Cb 0.52 -1.43 0.00 0.00 -0.04 0.00 0.00 33.50 32.56 2gya n PRO 32 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2gya n ARG 33 N -0.81 0.00 -4.22 0.54 1.74 -1.26 -4.90 116.66 107.76 2gya n ARG 33 Ca 0.00 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 56.95 2gya n ARG 33 Cb 0.00 -0.78 -0.10 0.00 -1.02 0.00 0.00 32.46 30.56 2gya n ARG 33 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 2gya s HIS 34 N -1.73 1.10 -0.08 -1.55 3.76 -0.81 -3.81 115.29 112.17 2gya s HIS 34 Ca 0.00 -0.93 0.03 0.00 -0.15 0.00 0.00 55.06 54.01 2gya s HIS 34 Cb 0.00 -0.62 0.01 0.00 1.11 0.00 0.00 32.58 33.08 2gya s HIS 34 CO 0.00 -0.13 -0.16 -1.50 -0.85 0.00 0.00 174.74 172.10 2gya s ILE 35 N -3.58 1.44 0.26 0.60 2.07 -1.26 1.00 121.20 121.73 2gya s ILE 35 Ca 0.18 -0.65 0.10 0.00 -1.41 0.00 0.00 60.65 58.87 2gya s ILE 35 Cb 0.05 -1.29 -0.04 0.00 0.13 0.00 0.00 42.46 41.31 2gya s ILE 35 CO 0.00 0.42 -0.04 -0.47 -1.91 0.00 0.00 174.94 172.95 2gya s TYR 36 N 0.63 2.64 -0.10 3.50 5.04 0.14 -3.01 117.35 126.19 2gya s TYR 36 Ca -0.15 -0.23 -0.12 0.00 -2.44 0.00 0.00 57.07 54.13 2gya s TYR 36 Cb -0.16 -1.18 0.03 0.00 0.35 0.00 0.00 41.96 41.00 2gya s TYR 36 CO 0.04 0.62 0.31 0.00 -1.34 0.00 0.00 175.55 175.19 2gya s ALA 37 N -2.29 -0.78 0.07 3.97 0.00 -1.24 -1.12 121.76 120.37 2gya s ALA 37 Ca 0.31 0.76 -0.06 0.00 0.00 0.00 0.00 51.96 52.96 2gya s ALA 37 Cb -0.06 -0.39 -0.01 0.00 0.00 0.00 0.00 23.12 22.65 2gya s ALA 37 CO 0.19 -0.17 0.12 -0.65 0.00 0.00 0.00 175.76 175.25 2gya s GLN 38 N -0.17 0.74 -0.71 0.00 -0.21 -0.74 -3.30 119.66 115.26 2gya s GLN 38 Ca -0.03 -0.96 0.05 0.00 0.02 0.00 0.00 55.36 54.43 2gya s GLN 38 Cb -0.03 0.29 0.19 0.00 1.00 0.00 0.00 33.01 34.46 2gya s GLN 38 CO 0.01 -0.21 0.56 0.28 -2.12 0.00 0.00 175.29 173.82 2gya n VAL 39 N 0.16 1.86 -3.23 1.09 0.31 -0.95 -2.20 118.33 115.37 2gya n VAL 39 Ca -0.16 -4.95 -0.36 0.00 -0.01 0.00 0.00 64.34 58.86 2gya n VAL 39 Cb 0.61 -2.18 -0.06 0.00 -0.91 0.00 0.00 33.84 31.30 2gya n VAL 39 CO 0.00 0.00 0.00 -0.51 -1.32 0.00 0.00 176.83 175.00 2gya s ILE 40 N -1.66 4.71 0.06 2.52 -1.16 -1.24 -2.52 121.20 121.91 2gya s ILE 40 Ca 0.28 1.07 0.04 0.00 -0.51 0.00 0.00 60.65 61.53 2gya s ILE 40 Cb -0.01 -3.81 -0.04 0.00 0.61 0.00 0.00 42.46 39.22 2gya s ILE 40 CO -0.14 0.25 -0.02 0.00 -2.81 0.00 0.00 174.94 172.22 2gya s ALA 41 N -1.46 3.20 1.02 1.50 0.00 0.13 -1.86 121.76 124.28 2gya s ALA 41 Ca 0.40 -1.09 -0.26 0.00 0.00 0.00 0.00 51.96 51.01 2gya s ALA 41 Cb -0.16 -1.17 -0.14 0.00 0.00 0.00 0.00 23.12 21.65 2gya s ALA 41 CO 0.20 0.67 -1.25 -2.30 0.00 0.00 0.00 175.76 173.08 2gya n PRO 42 N 0.91 -0.32 -2.58 0.00 -0.02 -1.26 -3.64 135.00 128.09 2gya n PRO 42 Ca -0.13 -0.09 -0.01 0.00 -2.02 0.00 0.00 63.50 61.25 2gya n PRO 42 Cb 0.52 -1.13 0.01 0.00 -0.02 0.00 0.00 33.50 32.87 2gya n PRO 42 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2gya n ASN 43 N 2.49 -5.89 0.00 2.55 3.02 -1.26 -4.71 115.26 111.46 2gya n ASN 43 Ca -0.01 -0.09 0.00 0.00 -0.03 0.00 0.00 54.58 54.44 2gya n ASN 43 Cb 0.72 -3.93 0.00 0.00 -0.61 0.00 0.00 39.78 35.96 2gya n ASN 43 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2gya n GLY 44 N -1.50 -1.35 2.85 7.41 0.00 -1.26 -4.61 105.19 106.73 2gya n GLY 44 Ca -0.01 -1.73 -0.36 0.00 0.00 0.00 0.00 46.02 43.92 2gya n GLY 44 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2gya n SER 45 N 0.09 5.05 -4.48 1.61 7.64 -1.26 -4.83 113.62 117.43 2gya n SER 45 Ca 0.00 -3.35 -0.43 0.00 1.01 0.00 0.00 58.87 56.10 2gya n SER 45 Cb 0.00 -1.03 -0.04 0.00 -1.01 0.00 0.00 64.21 62.12 2gya n SER 45 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 2gya s GLU 46 N -2.33 3.21 -0.40 1.43 0.41 -1.24 -4.98 118.70 114.81 2gya s GLU 46 Ca 0.33 -0.60 -0.19 0.00 -0.41 0.00 0.00 54.97 54.10 2gya s GLU 46 Cb 0.05 -4.13 0.01 0.00 -1.78 0.00 0.00 34.13 28.28 2gya s GLU 46 CO 0.01 -1.56 0.53 0.08 -0.49 0.00 0.00 175.26 173.82 2gya s VAL 47 N 3.74 4.98 -0.13 2.63 1.01 -1.26 -0.69 120.40 130.67 2gya s VAL 47 Ca 0.24 0.08 -0.21 0.00 0.00 0.00 0.00 61.98 62.09 2gya s VAL 47 Cb -0.16 -4.05 -0.19 0.00 0.00 0.00 0.00 36.38 31.98 2gya s VAL 47 CO 0.14 -0.38 0.55 -0.07 0.00 0.00 0.00 175.10 175.34 2gya h LEU 48 N 9.25 0.00 -7.86 3.92 4.07 -1.88 -3.48 115.31 119.33 2gya h LEU 48 Ca -0.27 -0.72 -0.16 0.00 0.08 0.00 0.00 57.88 56.81 2gya h LEU 48 Cb 1.11 0.00 -0.21 0.00 1.08 0.00 0.00 40.66 42.64 2gya h LEU 48 CO 0.81 0.88 -0.61 0.68 -1.08 0.00 0.00 178.44 179.12 2gya s VAL 49 N -2.05 0.09 -0.01 1.22 -7.23 -1.26 -5.04 120.40 106.12 2gya s VAL 49 Ca -0.14 -0.75 -0.29 0.00 -1.81 0.00 0.00 61.98 58.99 2gya s VAL 49 Cb -0.02 -0.31 0.08 0.00 0.56 0.00 0.00 36.38 36.68 2gya s VAL 49 CO 0.50 -0.41 0.70 0.00 -0.31 0.00 0.00 175.10 175.58 2gya s ALA 50 N -1.30 -1.75 -0.12 1.32 0.00 -1.26 -2.23 121.76 116.42 2gya s ALA 50 Ca -0.14 1.14 -0.10 0.00 0.00 0.00 0.00 51.96 52.86 2gya s ALA 50 Cb -0.08 0.16 0.04 0.00 0.00 0.00 0.00 23.12 23.23 2gya s ALA 50 CO 0.00 -0.47 0.31 0.00 0.00 0.00 0.00 175.76 175.60 2gya s ALA 51 N -1.85 -0.77 0.15 0.00 0.00 -1.21 -4.92 121.76 113.17 2gya s ALA 51 Ca -0.07 0.97 0.04 0.00 0.00 0.00 0.00 51.96 52.90 2gya s ALA 51 Cb -0.00 -0.58 -0.04 0.00 0.00 0.00 0.00 23.12 22.50 2gya s ALA 51 CO 0.03 -0.17 0.17 0.45 0.00 0.00 0.00 175.76 176.24 2gya s SER 52 N 0.47 5.72 0.55 0.00 0.15 -1.26 -3.66 113.70 115.66 2gya s SER 52 Ca -0.03 -0.05 0.31 0.00 0.70 0.00 0.00 55.95 56.89 2gya s SER 52 Cb -0.04 -1.56 1.56 0.00 -1.71 0.00 0.00 66.02 64.27 2gya s SER 52 CO -0.02 0.08 2.09 0.00 1.20 0.00 0.00 173.24 176.58 2gya h THR 53 N 2.00 0.35 0.00 6.45 1.03 -1.90 -1.04 112.91 119.80 2gya h THR 53 Ca -0.48 -0.48 -0.10 0.00 -0.01 0.00 0.00 66.41 65.34 2gya h THR 53 Cb 1.20 1.35 -0.01 0.00 -1.07 0.00 0.00 68.15 69.61 2gya h THR 53 CO 0.65 0.08 -0.47 1.62 -0.01 0.00 0.00 175.52 177.38 2gya h VAL 54 N 0.00 1.04 0.00 0.00 3.04 -1.93 -2.63 116.25 115.78 2gya h VAL 54 Ca -0.00 -1.83 0.00 0.00 -1.01 0.00 0.00 66.70 63.86 2gya h VAL 54 Cb 0.35 2.08 0.00 0.00 -2.01 0.00 0.00 31.29 31.71 2gya h VAL 54 CO 0.01 0.47 0.00 -0.33 -1.01 0.00 0.00 177.57 176.71 2gya h GLU 55 N 0.00 0.00 0.00 4.17 5.08 -1.59 -2.98 114.58 119.26 2gya h GLU 55 Ca -0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 2gya h GLU 55 Cb 1.04 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.29 2gya h GLU 55 CO 0.06 0.00 -0.07 -0.22 -1.00 0.00 0.00 179.01 177.78 2gya h LYS 56 N 0.00 0.00 0.00 2.33 1.63 -1.30 -1.26 116.57 117.96 2gya h LYS 56 Ca 0.00 0.00 -0.07 0.00 -0.85 0.00 0.00 60.65 59.73 2gya h LYS 56 Cb 0.82 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.44 2gya h LYS 56 CO 0.00 0.07 -0.33 0.00 -3.45 0.00 0.00 179.45 175.74 2gya h ALA 57 N 1.93 1.28 -0.72 5.00 0.00 -1.64 -2.40 119.26 122.71 2gya h ALA 57 Ca -0.00 -0.30 0.08 0.00 0.00 0.00 0.00 54.91 54.69 2gya h ALA 57 Cb 0.37 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.06 2gya h ALA 57 CO 0.01 0.41 0.47 0.82 0.00 0.00 0.00 179.25 180.96 2gya h ILE 58 N 0.00 0.97 0.00 0.00 2.04 -1.41 -3.06 117.51 116.05 2gya h ILE 58 Ca -0.00 -0.23 0.00 0.00 1.00 0.00 0.00 64.86 65.63 2gya h ILE 58 Cb 0.65 0.24 0.00 0.00 -0.74 0.00 0.00 36.82 36.97 2gya h ILE 58 CO 0.04 0.12 0.00 0.00 0.00 0.00 0.00 178.15 178.32 2gya n ALA 59 N -2.46 -0.14 0.00 1.87 0.00 -0.92 -4.95 120.51 113.91 2gya n ALA 59 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.55 2gya n ALA 59 Cb 0.29 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.74 2gya n ALA 59 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2gya n GLU 60 N -1.62 0.00 -3.66 0.00 2.13 -1.14 -5.15 120.64 111.20 2gya n GLU 60 Ca 0.00 0.00 -0.36 0.00 0.66 0.00 0.00 57.16 57.46 2gya n GLU 60 Cb 0.00 0.00 -0.08 0.00 0.27 0.00 0.00 31.44 31.63 2gya n GLU 60 CO 0.00 0.00 0.00 -1.14 -0.41 0.00 0.00 177.13 175.58 2gya s GLN 61 N 0.00 4.20 -0.16 5.31 2.00 -1.22 -4.99 119.66 124.80 2gya s GLN 61 Ca 0.00 -0.10 -0.08 0.00 -2.00 0.00 0.00 55.36 53.18 2gya s GLN 61 Cb 0.00 -3.42 -0.07 0.00 0.80 0.00 0.00 33.01 30.32 2gya s GLN 61 CO 0.00 0.29 -0.21 -0.11 -0.50 0.00 0.00 175.29 174.76 2gya n LEU 62 N 3.50 1.17 -4.62 3.68 0.00 -1.26 -4.74 117.00 114.73 2gya n LEU 62 Ca -0.15 0.20 -0.30 0.00 0.00 0.00 0.00 56.01 55.76 2gya n LEU 62 Cb 0.52 -0.48 0.23 0.00 0.00 0.00 0.00 43.42 43.69 2gya n LEU 62 CO 0.38 0.34 0.64 -0.54 0.00 0.00 0.00 177.39 178.21 2gya s LYS 63 N -2.30 -0.97 0.97 1.96 1.02 -1.26 -5.00 119.74 114.16 2gya s LYS 63 Ca -0.23 -0.05 -0.13 0.00 0.02 0.00 0.00 55.97 55.58 2gya s LYS 63 Cb 0.09 -1.62 0.06 0.00 -0.52 0.00 0.00 37.83 35.83 2gya s LYS 63 CO 0.29 -3.55 0.45 0.98 -0.92 0.00 0.00 175.35 172.59 2gya n TYR 64 N -4.65 -1.24 -1.25 3.18 9.36 -1.26 -4.94 117.16 116.36 2gya n TYR 64 Ca 0.13 0.23 0.03 0.00 3.32 0.00 0.00 57.90 61.61 2gya n TYR 64 Cb 0.59 -1.78 0.21 0.00 -0.63 0.00 0.00 39.34 37.73 2gya n TYR 64 CO 0.00 0.00 0.00 0.25 0.22 0.00 0.00 176.86 177.33 2gya n THR 65 N -3.76 2.32 -1.94 2.97 -2.24 -1.26 -4.61 114.28 105.76 2gya n THR 65 Ca 0.07 -2.42 -0.03 0.00 -2.27 0.00 0.00 64.05 59.39 2gya n THR 65 Cb 0.54 -0.28 0.12 0.00 -2.10 0.00 0.00 70.33 68.61 2gya n THR 65 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2gya n GLY 66 N -0.97 4.63 1.21 3.38 0.00 -1.25 -4.17 105.19 108.02 2gya n GLY 66 Ca 0.25 -1.59 -0.10 0.00 0.00 0.00 0.00 46.02 44.58 2gya n GLY 66 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2gya n ASN 67 N -0.74 2.15 0.04 1.61 0.23 -1.26 -5.00 115.26 112.28 2gya n ASN 67 Ca 0.23 -1.69 -0.19 0.00 -0.53 0.00 0.00 54.58 52.39 2gya n ASN 67 Cb 0.84 0.07 -0.13 0.00 -2.08 0.00 0.00 39.78 38.48 2gya n ASN 67 CO 0.00 0.00 0.00 0.50 -0.93 0.00 0.00 177.26 176.83 2gya h LYS 68 N 0.00 0.41 0.00 -3.83 3.64 -1.97 -2.98 116.57 111.84 2gya h LYS 68 Ca -0.13 -0.55 -0.01 0.00 -1.27 0.00 0.00 60.65 58.69 2gya h LYS 68 Cb 0.42 0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 32.42 2gya h LYS 68 CO 0.21 1.21 -0.06 0.38 -2.27 0.00 0.00 179.45 178.92 2gya h ASP 69 N -0.13 0.00 1.00 4.20 2.03 -1.98 -0.75 116.42 120.79 2gya h ASP 69 Ca -0.12 0.00 -0.20 0.00 -0.73 0.00 0.00 57.03 55.97 2gya h ASP 69 Cb 1.56 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 40.03 2gya h ASP 69 CO 0.16 0.06 -1.02 0.00 -1.03 0.00 0.00 179.24 177.41 2gya h ALA 70 N 1.94 0.44 -0.04 4.15 0.00 -1.90 -2.85 119.26 121.00 2gya h ALA 70 Ca -0.00 -0.91 -0.11 0.00 0.00 0.00 0.00 54.91 53.89 2gya h ALA 70 Cb 0.16 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 2gya h ALA 70 CO 0.01 1.20 -0.49 0.00 0.00 0.00 0.00 179.25 179.97 2gya h ALA 71 N 1.07 1.12 0.03 0.00 0.00 -0.99 -2.41 119.26 118.07 2gya h ALA 71 Ca -0.04 -0.45 -0.22 0.00 0.00 0.00 0.00 54.91 54.20 2gya h ALA 71 Cb 1.75 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 19.43 2gya h ALA 71 CO 0.12 0.63 -1.01 0.00 0.00 0.00 0.00 179.25 178.98 2gya h ALA 72 N 1.43 0.36 -0.40 0.00 0.00 -1.41 -3.02 119.26 116.21 2gya h ALA 72 Ca 0.00 -0.87 -0.12 0.00 0.00 0.00 0.00 54.91 53.92 2gya h ALA 72 Cb 0.89 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 2gya h ALA 72 CO 0.07 1.13 -0.23 0.00 0.00 0.00 0.00 179.25 180.22 2gya h ALA 73 N 0.94 0.83 -0.36 0.00 0.00 -1.27 -2.89 119.26 116.50 2gya h ALA 73 Ca -0.04 -0.38 -0.13 0.00 0.00 0.00 0.00 54.91 54.36 2gya h ALA 73 Cb 1.74 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 19.37 2gya h ALA 73 CO 0.14 0.64 -0.31 0.28 0.00 0.00 0.00 179.25 180.00 2gya h VAL 74 N 0.71 1.28 -0.82 0.00 2.07 -1.48 -2.85 116.25 115.16 2gya h VAL 74 Ca 0.09 -1.47 -0.00 0.00 0.82 0.00 0.00 66.70 66.15 2gya h VAL 74 Cb 0.76 1.33 -0.04 0.00 -1.52 0.00 0.00 31.29 31.82 2gya h VAL 74 CO 0.06 0.48 0.51 1.23 0.02 0.00 0.00 177.57 179.87 2gya h GLY 75 N 0.93 1.17 1.92 2.17 0.00 -1.38 -0.16 103.07 107.71 2gya h GLY 75 Ca 0.07 -0.47 -0.12 0.00 0.00 0.00 0.00 47.33 46.82 2gya h GLY 75 CO 0.07 0.45 -0.55 0.50 0.00 0.00 0.00 176.54 177.02 2gya h LYS 76 N 1.12 0.09 -0.00 4.80 1.57 -1.42 -2.23 116.57 120.49 2gya h LYS 76 Ca 0.30 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 59.01 2gya h LYS 76 Cb -0.08 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.24 2gya h LYS 76 CO -0.06 0.61 -0.05 0.00 -0.57 0.00 0.00 179.45 179.39 2gya h ALA 77 N 1.38 0.01 -0.82 3.86 0.00 -1.14 -1.55 119.26 121.00 2gya h ALA 77 Ca -0.00 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.51 2gya h ALA 77 Cb 0.99 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.74 2gya h ALA 77 CO 0.08 -0.09 0.45 0.28 0.00 0.00 0.00 179.25 179.97 2gya h VAL 78 N -0.67 1.24 -0.12 0.00 2.07 -1.09 -2.06 116.25 115.62 2gya h VAL 78 Ca -0.00 -0.59 -0.22 0.00 0.82 0.00 0.00 66.70 66.71 2gya h VAL 78 Cb 0.78 0.12 0.01 0.00 -1.52 0.00 0.00 31.29 30.67 2gya h VAL 78 CO 0.01 0.27 -0.79 0.00 0.02 0.00 0.00 177.57 177.08 2gya h ALA 79 N 1.35 0.37 -0.76 1.67 0.00 -1.48 -1.99 119.26 118.43 2gya h ALA 79 Ca 0.29 -0.61 -0.02 0.00 0.00 0.00 0.00 54.91 54.57 2gya h ALA 79 Cb 0.02 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 2gya h ALA 79 CO -0.05 0.71 0.40 1.49 0.00 0.00 0.00 179.25 181.80 2gya h GLU 80 N 0.46 1.06 0.00 0.00 4.22 -1.01 -0.34 114.58 118.96 2gya h GLU 80 Ca -0.05 -0.12 -0.11 0.00 0.08 0.00 0.00 59.36 59.15 2gya h GLU 80 Cb 1.41 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 30.44 2gya h GLU 80 CO 0.16 0.79 -0.53 0.00 -2.18 0.00 0.00 179.01 177.24 2gya h ARG 81 N 1.06 0.00 -0.14 1.92 3.08 -1.36 -3.00 114.38 115.94 2gya h ARG 81 Ca 0.27 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 60.26 2gya h ARG 81 Cb 0.05 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.10 2gya h ARG 81 CO -0.04 0.53 -0.13 0.00 -1.07 0.00 0.00 179.97 179.25 2gya h ALA 82 N 1.47 0.21 0.00 0.04 0.00 -0.45 -2.18 119.26 118.35 2gya h ALA 82 Ca -0.01 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.57 2gya h ALA 82 Cb 1.18 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.92 2gya h ALA 82 CO 0.07 0.08 -0.07 1.25 0.00 0.00 0.00 179.25 180.57 2gya h LEU 83 N -0.03 0.00 -0.10 0.00 5.85 -1.12 0.83 115.31 120.74 2gya h LEU 83 Ca 0.02 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.70 2gya h LEU 83 Cb 0.65 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.68 2gya h LEU 83 CO 0.03 0.07 -0.19 -0.08 -0.34 0.00 0.00 178.44 177.93 2gya h GLU 84 N 0.00 0.00 0.05 1.25 4.57 -1.35 -3.30 114.58 115.80 2gya h GLU 84 Ca -0.00 0.00 -0.07 0.00 -1.18 0.00 0.00 59.36 58.11 2gya h GLU 84 Cb 0.19 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 28.79 2gya h GLU 84 CO 0.01 0.19 -0.32 -0.22 -1.18 0.00 0.00 179.01 177.50 2gya h LYS 85 N 0.00 0.13 0.00 1.92 1.63 -0.22 -3.49 116.57 116.55 2gya h LYS 85 Ca -0.00 -0.20 0.00 0.00 -0.85 0.00 0.00 60.65 59.59 2gya h LYS 85 Cb 1.11 0.07 0.00 0.00 -0.60 0.00 0.00 32.23 32.82 2gya h LYS 85 CO 0.03 1.07 0.00 0.41 -3.45 0.00 0.00 179.45 177.50 2gya n GLY 86 N 1.52 -0.29 3.87 5.01 0.00 -0.75 -5.11 105.19 109.44 2gya n GLY 86 Ca -0.11 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.55 2gya n GLY 86 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2gya s ILE 87 N -0.48 5.30 -0.02 -0.61 1.10 -1.17 -5.02 121.20 120.32 2gya s ILE 87 Ca 0.00 0.34 -0.06 0.00 -0.51 0.00 0.00 60.65 60.42 2gya s ILE 87 Cb 0.00 -3.55 -0.02 0.00 0.15 0.00 0.00 42.46 39.04 2gya s ILE 87 CO 0.00 0.49 -0.13 0.29 -2.11 0.00 0.00 174.94 173.49 2gya n LYS 88 N 1.55 0.19 -3.50 3.50 4.01 -1.26 -4.30 118.16 118.35 2gya n LYS 88 Ca -0.15 0.08 -0.25 0.00 -0.51 0.00 0.00 58.31 57.48 2gya n LYS 88 Cb 0.53 -0.84 -0.02 0.00 -0.51 0.00 0.00 35.03 34.20 2gya n LYS 88 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 2gya s ASP 89 N -5.96 6.34 -0.18 4.39 1.01 -1.26 -4.42 116.67 116.60 2gya s ASP 89 Ca -0.11 0.44 -0.29 0.00 0.71 0.00 0.00 52.55 53.29 2gya s ASP 89 Cb 0.02 -2.02 0.13 0.00 1.01 0.00 0.00 42.92 42.05 2gya s ASP 89 CO 0.16 -0.20 1.00 0.54 0.21 0.00 0.00 175.17 176.87 2gya s VAL 90 N -2.15 0.00 0.10 -1.27 0.11 -1.26 -4.68 120.40 111.25 2gya s VAL 90 Ca 0.40 0.00 0.03 0.00 -2.93 0.00 0.00 61.98 59.48 2gya s VAL 90 Cb -0.10 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.71 2gya s VAL 90 CO 0.33 0.00 0.11 -0.55 -3.33 0.00 0.00 175.10 171.66 2gya s SER 91 N -0.87 5.61 -0.14 3.54 0.15 -1.15 -4.96 113.70 115.87 2gya s SER 91 Ca -0.01 -0.02 -0.24 0.00 0.70 0.00 0.00 55.95 56.39 2gya s SER 91 Cb -0.01 -1.52 -0.02 0.00 -1.71 0.00 0.00 66.02 62.75 2gya s SER 91 CO 0.00 0.14 0.75 -0.36 1.20 0.00 0.00 173.24 174.97 2gya s PHE 92 N -1.51 3.46 -0.42 3.44 0.08 -1.26 -0.70 117.98 121.07 2gya s PHE 92 Ca 0.30 1.18 0.02 0.00 0.12 0.00 0.00 56.93 58.56 2gya s PHE 92 Cb -0.12 -2.90 0.13 0.00 -0.57 0.00 0.00 43.02 39.56 2gya s PHE 92 CO 0.23 -0.12 0.21 0.34 -0.10 0.00 0.00 175.22 175.78 2gya s ASP 93 N 1.06 3.78 -0.71 1.36 2.15 -1.14 -4.89 116.67 118.29 2gya s ASP 93 Ca 0.36 -2.49 -0.03 0.00 0.43 0.00 0.00 52.55 50.83 2gya s ASP 93 Cb -0.17 -1.07 0.18 0.00 -0.30 0.00 0.00 42.92 41.57 2gya s ASP 93 CO 0.14 -0.29 0.54 0.00 -0.17 0.00 0.00 175.17 175.39 2gya s ARG 94 N 0.52 2.79 -0.50 4.34 1.70 -1.26 -3.31 118.95 123.23 2gya s ARG 94 Ca 0.16 -2.76 -0.27 0.00 -0.47 0.00 0.00 55.73 52.39 2gya s ARG 94 Cb -0.23 -3.81 -0.03 0.00 -0.57 0.00 0.00 34.95 30.31 2gya s ARG 94 CO -0.03 -1.21 1.97 -1.12 -1.08 0.00 0.00 175.30 173.84 2gya s SER 95 N 0.43 5.25 -0.05 -2.89 0.01 -1.26 -4.27 113.70 110.92 2gya s SER 95 Ca 0.20 0.79 -0.00 0.00 1.31 0.00 0.00 55.95 58.25 2gya s SER 95 Cb -0.16 -2.52 0.00 0.00 0.21 0.00 0.00 66.02 63.55 2gya s SER 95 CO -0.06 -2.31 0.00 0.61 0.41 0.00 0.00 173.24 171.89 2gya n GLY 96 N 5.70 -3.07 3.62 3.44 0.00 -1.26 -5.08 105.19 108.53 2gya n GLY 96 Ca 0.25 -0.13 -0.03 0.00 0.00 0.00 0.00 46.02 46.11 2gya n GLY 96 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2gya s PHE 97 N -0.27 -0.14 0.00 1.61 5.36 -1.26 -5.13 117.98 118.16 2gya s PHE 97 Ca -0.00 -0.01 0.00 0.00 -0.96 0.00 0.00 56.93 55.96 2gya s PHE 97 Cb 0.00 0.56 0.00 0.00 -0.34 0.00 0.00 43.02 43.24 2gya s PHE 97 CO 0.13 -0.43 0.00 0.00 -1.46 0.00 0.00 175.22 173.46 2gya n GLN 98 N -0.34 1.33 -4.09 10.12 10.64 -1.26 -5.11 117.38 128.67 2gya n GLN 98 Ca -0.06 0.00 -0.23 0.00 -1.83 0.00 0.00 57.00 54.89 2gya n GLN 98 Cb 0.61 0.00 -0.04 0.00 -0.86 0.00 0.00 30.24 29.95 2gya n GLN 98 CO 0.00 0.00 0.00 0.71 -1.83 0.00 0.00 177.06 175.94 2gya s TYR 99 N 0.51 3.16 0.00 2.61 2.02 -1.26 -4.42 117.35 119.97 2gya s TYR 99 Ca 0.00 -0.08 0.00 0.00 -0.37 0.00 0.00 57.07 56.62 2gya s TYR 99 Cb 0.00 -1.44 0.00 0.00 -0.40 0.00 0.00 41.96 40.12 2gya s TYR 99 CO 0.00 0.51 0.00 1.58 -1.57 0.00 0.00 175.55 176.07 2gya n HIS 100 N -1.06 0.00 0.00 2.71 -0.00 -1.26 -4.92 115.22 110.68 2gya n HIS 100 Ca -0.08 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.10 2gya n HIS 100 Cb 0.57 -1.70 0.00 0.00 -0.12 0.00 0.00 29.99 28.74 2gya n HIS 100 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2gya n GLY 101 N -0.45 -1.84 0.19 1.57 0.00 -1.26 -4.84 105.19 98.55 2gya n GLY 101 Ca 0.00 -1.36 0.13 0.00 0.00 0.00 0.00 46.02 44.79 2gya n GLY 101 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2gya h ARG 102 N 0.00 0.00 -0.11 1.61 -0.00 -1.93 -3.19 114.38 110.76 2gya h ARG 102 Ca 0.00 0.00 -0.16 0.00 -0.50 0.00 0.00 59.98 59.32 2gya h ARG 102 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 29.96 2gya h ARG 102 CO 0.00 0.00 -0.63 -0.39 0.00 0.00 0.00 179.97 178.95 2gya h VAL 103 N 0.00 1.36 -0.05 2.04 -1.51 -1.92 -2.10 116.25 114.08 2gya h VAL 103 Ca 0.00 -1.98 -0.14 0.00 -1.23 0.00 0.00 66.70 63.35 2gya h VAL 103 Cb 0.80 1.97 -0.01 0.00 -2.13 0.00 0.00 31.29 31.92 2gya h VAL 103 CO 0.00 0.60 -0.60 -0.61 -1.23 0.00 0.00 177.57 175.73 2gya h GLN 104 N 0.29 0.16 0.00 5.19 -0.00 -1.88 -1.67 115.11 117.20 2gya h GLN 104 Ca -0.01 -0.11 -0.10 0.00 -0.00 0.00 0.00 58.65 58.43 2gya h GLN 104 Cb 1.17 0.02 -0.01 0.00 0.00 0.00 0.00 27.48 28.66 2gya h GLN 104 CO 0.11 0.71 -0.48 0.00 0.00 0.00 0.00 178.83 179.17 2gya h ALA 105 N 1.26 0.94 -0.04 3.38 0.00 -1.56 -0.59 119.26 122.65 2gya h ALA 105 Ca -0.01 -0.44 -0.23 0.00 0.00 0.00 0.00 54.91 54.23 2gya h ALA 105 Cb 1.09 -0.08 0.02 0.00 0.00 0.00 0.00 17.79 18.82 2gya h ALA 105 CO 0.09 0.60 -0.88 1.25 0.00 0.00 0.00 179.25 180.30 2gya h LEU 106 N 0.00 0.85 -0.20 0.00 7.12 -1.03 -2.52 115.31 119.54 2gya h LEU 106 Ca -0.00 -0.71 -0.06 0.00 0.13 0.00 0.00 57.88 57.24 2gya h LEU 106 Cb 1.03 -0.26 -0.01 0.00 -0.53 0.00 0.00 40.66 40.90 2gya h LEU 106 CO 0.06 1.44 -0.09 0.00 -0.13 0.00 0.00 178.44 179.72 2gya h ALA 107 N 0.43 0.28 0.00 1.25 0.00 -1.18 -1.52 119.26 118.52 2gya h ALA 107 Ca -0.10 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.52 2gya h ALA 107 Cb 1.54 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.26 2gya h ALA 107 CO 0.18 0.11 -0.05 0.22 0.00 0.00 0.00 179.25 179.71 2gya h ASP 108 N 0.11 0.00 0.64 0.00 3.58 -1.17 -1.36 116.42 118.23 2gya h ASP 108 Ca 0.04 0.00 -0.26 0.00 0.42 0.00 0.00 57.03 57.24 2gya h ASP 108 Cb 0.58 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.63 2gya h ASP 108 CO 0.03 0.05 -1.16 0.00 -2.88 0.00 0.00 179.24 175.27 2gya h ALA 109 N 1.95 0.17 -0.65 -0.78 0.00 -1.17 -2.98 119.26 115.80 2gya h ALA 109 Ca -0.00 -0.86 -0.04 0.00 0.00 0.00 0.00 54.91 54.01 2gya h ALA 109 Cb 0.10 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 2gya h ALA 109 CO 0.01 0.98 0.25 0.00 0.00 0.00 0.00 179.25 180.49 2gya h ALA 110 N 0.67 0.85 -0.28 0.00 0.00 -0.21 -2.58 119.26 117.71 2gya h ALA 110 Ca -0.11 -0.18 -0.11 0.00 0.00 0.00 0.00 54.91 54.51 2gya h ALA 110 Cb 1.88 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 19.40 2gya h ALA 110 CO 0.19 0.48 -0.27 0.00 0.00 0.00 0.00 179.25 179.65 2gya h ARG 111 N 0.93 0.55 -0.01 0.00 3.08 -1.51 -2.68 114.38 114.74 2gya h ARG 111 Ca 0.22 -0.22 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2gya h ARG 111 Cb 0.23 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.25 2gya h ARG 111 CO -0.02 0.77 0.02 1.49 -1.07 0.00 0.00 179.97 181.16 2gya h GLU 112 N 0.48 0.00 0.17 0.04 4.57 -1.30 -2.44 114.58 116.10 2gya h GLU 112 Ca 0.07 0.00 -0.31 0.00 -1.18 0.00 0.00 59.36 57.94 2gya h GLU 112 Cb 0.72 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 29.32 2gya h GLU 112 CO 0.06 0.00 -1.48 0.00 -1.18 0.00 0.00 179.01 176.40 2gya h ALA 113 N 1.98 0.07 0.00 2.92 0.00 -1.36 -3.48 119.26 119.39 2gya h ALA 113 Ca 0.01 -1.02 0.00 0.00 0.00 0.00 0.00 54.91 53.90 2gya h ALA 113 Cb 0.04 0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2gya h ALA 113 CO -0.00 0.82 0.00 0.41 0.00 0.00 0.00 179.25 180.48 2gya n GLY 114 N 1.78 -0.58 0.71 0.00 0.00 -0.92 -4.95 105.19 101.23 2gya n GLY 114 Ca -0.22 0.00 0.13 0.00 0.00 0.00 0.00 46.02 45.93 2gya n GLY 114 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36