#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2h0f s LYS 10 N 0.00 0.57 -0.19 1.61 2.20 -0.23 -2.57 119.74 121.13 2h0f s LYS 10 Ca 0.00 0.72 0.01 0.00 -0.36 0.00 0.00 55.97 56.34 2h0f s LYS 10 Cb 0.00 0.25 0.04 0.00 -1.51 0.00 0.00 37.83 36.61 2h0f s LYS 10 CO 0.00 -0.08 -0.13 -1.17 -0.36 0.00 0.00 175.35 173.61 2h0f s LEU 11 N 0.41 2.28 0.35 5.43 2.96 -0.13 0.81 118.68 130.79 2h0f s LEU 11 Ca -0.01 -0.83 0.04 0.00 -0.22 0.00 0.00 54.13 53.11 2h0f s LEU 11 Cb -0.04 -1.30 -0.06 0.00 0.50 0.00 0.00 46.19 45.29 2h0f s LEU 11 CO -0.01 -0.11 0.05 0.42 -1.32 0.00 0.00 176.35 175.38 2h0f s THR 12 N 1.36 1.28 0.26 3.68 -4.23 -0.13 -0.68 115.64 117.18 2h0f s THR 12 Ca 0.00 -2.00 -0.02 0.00 -1.18 0.00 0.00 61.69 58.49 2h0f s THR 12 Cb -0.15 -2.79 0.01 0.00 1.34 0.00 0.00 72.50 70.91 2h0f s THR 12 CO -0.09 0.00 0.39 1.07 -0.54 0.00 0.00 174.62 175.44 2h0f n THR 13 N -0.75 0.00 -3.64 3.99 5.66 -1.26 -1.84 114.28 116.44 2h0f n THR 13 Ca -0.03 -1.26 -0.03 0.00 -3.05 0.00 0.00 64.05 59.68 2h0f n THR 13 Cb 0.67 0.80 -0.07 0.00 -1.55 0.00 0.00 70.33 70.18 2h0f n THR 13 CO 0.00 0.00 0.00 -2.28 -3.05 0.00 0.00 175.07 169.74 2h0f s HIS 14 N -3.53 -0.53 -0.17 1.09 2.46 -1.26 -4.68 115.29 108.68 2h0f s HIS 14 Ca 0.20 1.09 -0.01 0.00 0.47 0.00 0.00 55.06 56.82 2h0f s HIS 14 Cb -0.01 0.34 -0.00 0.00 -0.13 0.00 0.00 32.58 32.78 2h0f s HIS 14 CO 0.15 -0.26 -0.12 0.42 -2.47 0.00 0.00 174.74 172.45 2h0f s ILE 15 N 1.14 2.87 -0.11 0.89 1.01 -0.27 0.14 121.20 126.88 2h0f s ILE 15 Ca -0.07 -0.69 0.02 0.00 0.00 0.00 0.00 60.65 59.91 2h0f s ILE 15 Cb -0.04 -2.24 -0.01 0.00 0.01 0.00 0.00 42.46 40.18 2h0f s ILE 15 CO -0.14 0.49 -0.16 -0.76 0.00 0.00 0.00 174.94 174.37 2h0f s LEU 16 N 0.98 2.54 -0.52 2.97 2.01 -0.42 -0.76 118.68 125.48 2h0f s LEU 16 Ca -0.02 -0.37 -0.21 0.00 0.01 0.00 0.00 54.13 53.54 2h0f s LEU 16 Cb -0.15 -1.54 0.05 0.00 0.01 0.00 0.00 46.19 44.56 2h0f s LEU 16 CO -0.02 0.20 0.76 -0.62 1.01 0.00 0.00 176.35 177.68 2h0f s ASP 17 N 0.14 6.27 0.00 2.29 -1.08 0.11 -0.65 116.67 123.76 2h0f s ASP 17 Ca -0.09 -0.68 0.21 0.00 -0.52 0.00 0.00 52.55 51.47 2h0f s ASP 17 Cb -0.15 -2.35 1.22 0.00 -1.46 0.00 0.00 42.92 40.17 2h0f s ASP 17 CO 0.05 -1.03 1.62 0.18 0.52 0.00 0.00 175.17 176.52 2h0f n LEU 18 N 6.70 0.00 0.13 -1.34 4.77 -0.45 -1.33 117.00 125.48 2h0f n LEU 18 Ca -0.03 0.03 0.04 0.00 -0.03 0.00 0.00 56.01 56.02 2h0f n LEU 18 Cb 0.46 -0.03 0.02 0.00 -2.33 0.00 0.00 43.42 41.55 2h0f n LEU 18 CO 0.58 -0.01 0.34 0.74 -1.33 0.00 0.00 177.39 177.71 2h0f h THR 19 N 0.00 0.58 0.00 -5.08 2.02 -1.91 -3.38 112.91 105.14 2h0f h THR 19 Ca 0.00 -1.88 0.00 0.00 0.77 0.00 0.00 66.41 65.30 2h0f h THR 19 Cb 0.02 2.20 0.00 0.00 -1.74 0.00 0.00 68.15 68.63 2h0f h THR 19 CO 0.00 0.33 -0.23 0.00 0.37 0.00 0.00 175.52 175.99 2h0f n GLY 21 N 0.00 0.16 3.85 0.00 0.00 -0.44 -4.96 105.19 103.80 2h0f n GLY 21 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 2h0f n GLY 21 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2h0f s LYS 22 N -2.08 2.90 0.45 1.61 -0.14 -1.21 -4.91 119.74 116.36 2h0f s LYS 22 Ca 0.00 -1.12 -0.23 0.00 -1.36 0.00 0.00 55.97 53.27 2h0f s LYS 22 Cb 0.00 -2.57 -0.08 0.00 -1.68 0.00 0.00 37.83 33.50 2h0f s LYS 22 CO 0.00 0.28 1.11 -2.14 -0.76 0.00 0.00 175.35 173.84 2h0f s PRO 23 N -3.92 3.85 -0.44 -1.68 0.02 -1.26 -0.71 135.00 130.86 2h0f s PRO 23 Ca 0.36 1.63 -0.26 0.00 0.02 0.00 0.00 61.00 62.75 2h0f s PRO 23 Cb -0.07 -2.37 0.02 0.00 0.02 0.00 0.00 34.50 32.10 2h0f s PRO 23 CO 0.26 -0.44 0.96 0.00 -0.33 0.00 0.00 177.00 177.45 2h0f s ALA 24 N -1.65 3.26 0.04 -1.55 0.00 0.06 -4.70 121.76 117.22 2h0f s ALA 24 Ca 0.63 -0.65 -0.10 0.00 0.00 0.00 0.00 51.96 51.84 2h0f s ALA 24 Cb -0.25 -3.66 -0.05 0.00 0.00 0.00 0.00 23.12 19.16 2h0f s ALA 24 CO 0.30 -1.98 0.36 0.00 0.00 0.00 0.00 175.76 174.44 2h0f s ALA 25 N 3.81 3.75 -1.57 0.00 0.00 -1.26 -4.16 121.76 122.33 2h0f s ALA 25 Ca 0.39 -0.40 0.00 0.00 0.00 0.00 0.00 51.96 51.95 2h0f s ALA 25 Cb -0.10 -2.24 0.00 0.00 0.00 0.00 0.00 23.12 20.78 2h0f s ALA 25 CO 0.25 0.57 0.00 -1.71 0.00 0.00 0.00 175.76 174.87 2h0f n ASN 26 N 1.19 -5.28 -4.75 0.00 5.15 0.22 -4.95 115.26 106.84 2h0f n ASN 26 Ca -0.10 0.00 -0.39 0.00 -0.60 0.00 0.00 54.58 53.49 2h0f n ASN 26 Cb 0.53 -4.35 -0.05 0.00 -0.53 0.00 0.00 39.78 35.37 2h0f n ASN 26 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 2h0f s VAL 27 N -2.90 4.87 0.21 3.44 1.01 -1.26 -4.72 120.40 121.05 2h0f s VAL 27 Ca 0.00 1.41 -0.30 0.00 0.00 0.00 0.00 61.98 63.09 2h0f s VAL 27 Cb 0.00 -4.01 -0.08 0.00 0.00 0.00 0.00 36.38 32.29 2h0f s VAL 27 CO 0.00 0.38 1.01 -0.75 0.00 0.00 0.00 175.10 175.73 2h0f s LYS 28 N -0.00 4.73 -0.15 2.72 2.20 -1.26 -1.81 119.74 126.17 2h0f s LYS 28 Ca 0.34 1.59 0.00 0.00 -0.36 0.00 0.00 55.97 57.54 2h0f s LYS 28 Cb -0.19 -3.28 0.03 0.00 -1.51 0.00 0.00 37.83 32.87 2h0f s LYS 28 CO 0.19 0.31 -0.13 0.42 -0.36 0.00 0.00 175.35 175.79 2h0f s ILE 29 N -0.73 1.49 0.16 5.43 1.01 0.11 -1.72 121.20 126.95 2h0f s ILE 29 Ca 0.45 -0.63 -0.14 0.00 0.00 0.00 0.00 60.65 60.33 2h0f s ILE 29 Cb -0.27 -1.44 -0.07 0.00 0.01 0.00 0.00 42.46 40.69 2h0f s ILE 29 CO 0.34 0.40 0.56 -0.83 0.00 0.00 0.00 174.94 175.41 2h0f s GLY 30 N 1.51 2.44 -0.02 6.18 0.00 0.48 -1.82 107.32 116.09 2h0f s GLY 30 Ca 0.04 -0.14 0.03 0.00 0.00 0.00 0.00 44.72 44.66 2h0f s GLY 30 CO -0.10 0.13 -0.12 -2.27 0.00 0.00 0.00 173.10 170.73 2h0f s LEU 31 N -2.08 1.92 0.03 0.66 1.98 -0.78 -0.29 118.68 120.12 2h0f s LEU 31 Ca 0.39 -0.23 -0.22 0.00 -2.89 0.00 0.00 54.13 51.18 2h0f s LEU 31 Cb -0.14 -0.67 0.05 0.00 0.66 0.00 0.00 46.19 46.08 2h0f s LEU 31 CO 0.19 0.12 0.51 -1.59 -1.89 0.00 0.00 176.35 173.69 2h0f s LYS 32 N -0.06 0.99 0.42 1.98 -2.85 -0.54 -2.84 119.74 116.85 2h0f s LYS 32 Ca 0.00 -0.19 -0.12 0.00 -1.00 0.00 0.00 55.97 54.66 2h0f s LYS 32 Cb -0.07 0.45 -0.07 0.00 -2.06 0.00 0.00 37.83 36.08 2h0f s LYS 32 CO 0.00 -0.34 0.82 1.03 0.10 0.00 0.00 175.35 176.96 2h0f s ARG 33 N -2.21 3.84 0.10 1.78 0.52 -1.26 -0.49 118.95 121.24 2h0f s ARG 33 Ca -0.07 0.61 -0.33 0.00 -0.52 0.00 0.00 55.73 55.42 2h0f s ARG 33 Cb -0.01 -2.33 -0.13 0.00 0.52 0.00 0.00 34.95 33.00 2h0f s ARG 33 CO 0.00 -0.08 1.69 -0.11 0.02 0.00 0.00 175.30 176.82 2h0f n LEU 34 N -1.28 3.35 0.00 2.53 0.00 0.14 -1.77 117.00 119.97 2h0f n LEU 34 Ca 0.04 1.05 0.00 0.00 0.00 0.00 0.00 56.01 57.09 2h0f n LEU 34 Cb 0.54 -1.44 0.00 0.00 0.00 0.00 0.00 43.42 42.52 2h0f n LEU 34 CO 0.47 -0.15 0.00 0.61 0.00 0.00 0.00 177.39 178.32 2h0f n GLY 35 N 3.77 0.86 0.83 -3.96 0.00 -1.26 -5.02 105.19 100.41 2h0f n GLY 35 Ca 0.18 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.14 2h0f n GLY 35 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2h0f n GLU 36 N -2.21 1.47 -2.93 1.61 1.02 -0.73 -5.15 120.64 113.72 2h0f n GLU 36 Ca 0.00 -0.79 -0.21 0.00 -0.02 0.00 0.00 57.16 56.14 2h0f n GLU 36 Cb 0.00 0.14 0.02 0.00 -0.02 0.00 0.00 31.44 31.57 2h0f n GLU 36 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 2h0f s SER 37 N -1.68 5.64 1.05 1.62 0.01 -1.26 -4.78 113.70 114.30 2h0f s SER 37 Ca 0.04 0.04 -0.17 0.00 1.31 0.00 0.00 55.95 57.18 2h0f s SER 37 Cb -0.00 -1.17 0.12 0.00 0.21 0.00 0.00 66.02 65.17 2h0f s SER 37 CO 0.03 -0.83 0.05 -0.38 0.41 0.00 0.00 173.24 172.52 2h0f n ILE 38 N -2.09 0.00 -1.11 1.44 -0.00 -1.26 -4.49 119.36 111.85 2h0f n ILE 38 Ca 0.04 -0.13 -0.37 0.00 -0.00 0.00 0.00 62.75 62.29 2h0f n ILE 38 Cb 0.59 -0.49 0.02 0.00 -0.00 0.00 0.00 39.64 39.76 2h0f n ILE 38 CO 0.00 0.00 0.00 0.29 -0.00 0.00 0.00 176.55 176.84 2h0f n LYS 40 N -1.52 0.00 -3.64 0.38 5.02 -1.13 -4.97 118.16 112.30 2h0f n LYS 40 Ca 0.03 0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 56.18 2h0f n LYS 40 Cb 0.48 -0.99 -0.13 0.00 -0.02 0.00 0.00 35.03 34.37 2h0f n LYS 40 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 2h0f s GLU 41 N -1.48 0.15 0.27 1.97 2.02 -1.26 -1.86 118.70 118.51 2h0f s GLU 41 Ca 0.48 0.69 0.06 0.00 0.02 0.00 0.00 54.97 56.22 2h0f s GLU 41 Cb -0.34 -0.16 -0.06 0.00 0.10 0.00 0.00 34.13 33.68 2h0f s GLU 41 CO 0.74 -0.33 -0.04 0.08 0.02 0.00 0.00 175.26 175.72 2h0f s VAL 42 N 2.41 1.50 -0.13 2.63 1.01 -0.76 -4.95 120.40 122.11 2h0f s VAL 42 Ca 0.02 -2.10 -0.01 0.00 0.00 0.00 0.00 61.98 59.89 2h0f s VAL 42 Cb -0.12 -2.43 0.03 0.00 0.00 0.00 0.00 36.38 33.86 2h0f s VAL 42 CO -0.09 -0.31 -0.04 -0.31 0.00 0.00 0.00 175.10 174.35 2h0f s TYR 43 N -3.11 1.36 0.59 5.22 1.51 -1.26 0.09 117.35 121.75 2h0f s TYR 43 Ca 0.29 -0.76 -0.19 0.00 -1.01 0.00 0.00 57.07 55.40 2h0f s TYR 43 Cb 0.04 -1.16 -0.05 0.00 -0.11 0.00 0.00 41.96 40.68 2h0f s TYR 43 CO 0.11 -0.52 0.98 0.25 -1.11 0.00 0.00 175.55 175.26 2h0f n THR 44 N 4.97 3.59 -0.24 -0.71 -2.24 -0.75 -4.78 114.28 114.12 2h0f n THR 44 Ca -0.11 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 61.17 2h0f n THR 44 Cb 0.49 -1.17 0.00 0.00 -2.10 0.00 0.00 70.33 67.55 2h0f n THR 44 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 2h0f n ASN 45 N -0.66 0.00 0.20 3.42 0.23 0.13 -0.61 115.26 117.96 2h0f n ASN 45 Ca 0.13 0.00 0.13 0.00 -0.53 0.00 0.00 54.58 54.31 2h0f n ASN 45 Cb 0.47 0.00 0.35 0.00 -2.08 0.00 0.00 39.78 38.51 2h0f n ASN 45 CO 0.00 0.00 0.00 0.78 -0.93 0.00 0.00 177.26 177.11 2h0f h ASN 46 N 0.00 0.00 -0.16 0.53 2.35 -1.93 -2.84 115.58 113.53 2h0f h ASN 46 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2h0f h ASN 46 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 2h0f h ASN 46 CO 0.00 0.00 0.00 -0.67 -1.65 0.00 0.00 177.43 175.11 2h0f n ASP 47 N -2.83 2.01 -0.77 5.81 2.03 -1.26 -4.67 116.55 116.87 2h0f n ASP 47 Ca 0.04 -1.73 -0.07 0.00 0.52 0.00 0.00 54.79 53.54 2h0f n ASP 47 Cb 0.44 -0.10 -0.01 0.00 -0.72 0.00 0.00 41.12 40.73 2h0f n ASP 47 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2h0f n GLY 48 N 1.21 0.33 3.50 0.27 0.00 -1.07 -4.75 105.19 104.68 2h0f n GLY 48 Ca 0.17 -0.62 -0.25 0.00 0.00 0.00 0.00 46.02 45.32 2h0f n GLY 48 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2h0f s ARG 49 N -3.85 1.92 -0.04 1.61 0.52 -1.26 -1.12 118.95 116.73 2h0f s ARG 49 Ca 0.00 -2.17 0.07 0.00 -0.52 0.00 0.00 55.73 53.11 2h0f s ARG 49 Cb 0.00 -0.57 -0.02 0.00 0.52 0.00 0.00 34.95 34.88 2h0f s ARG 49 CO 0.00 -0.48 -0.25 0.14 0.02 0.00 0.00 175.30 174.73 2h0f s VAL 50 N -3.22 2.11 0.17 3.52 -7.23 -1.26 0.17 120.40 114.65 2h0f s VAL 50 Ca 0.25 -1.07 -0.20 0.00 -1.81 0.00 0.00 61.98 59.15 2h0f s VAL 50 Cb 0.03 -1.75 0.09 0.00 0.56 0.00 0.00 36.38 35.31 2h0f s VAL 50 CO 0.15 0.57 1.62 0.44 -0.31 0.00 0.00 175.10 177.58 2h0f h ASP 51 N 5.81 -0.77 -2.80 4.85 5.19 -2.00 -3.41 116.42 123.29 2h0f h ASP 51 Ca -0.37 0.16 -0.67 0.00 -0.62 0.00 0.00 57.03 55.53 2h0f h ASP 51 Cb 1.15 0.40 -0.09 0.00 0.18 0.00 0.00 39.33 40.97 2h0f h ASP 51 CO 0.47 -0.26 -0.51 -0.69 -3.12 0.00 0.00 179.24 175.13 2h0f s VAL 52 N -6.11 5.23 0.55 -1.35 1.01 -1.26 -5.06 120.40 113.41 2h0f s VAL 52 Ca -0.14 0.09 -0.18 0.00 0.00 0.00 0.00 61.98 61.74 2h0f s VAL 52 Cb 0.14 -3.27 -0.10 0.00 0.00 0.00 0.00 36.38 33.15 2h0f s VAL 52 CO 0.69 0.60 0.45 -2.65 0.00 0.00 0.00 175.10 174.19 2h0f n PRO 53 N 1.97 0.46 0.24 2.72 -0.02 -1.26 -4.82 135.00 134.28 2h0f n PRO 53 Ca -0.19 0.18 0.13 0.00 -2.02 0.00 0.00 63.50 61.59 2h0f n PRO 53 Cb 0.55 -1.60 0.51 0.00 -0.02 0.00 0.00 33.50 32.94 2h0f n PRO 53 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2h0f h LEU 54 N 0.26 0.00 -7.12 2.45 5.85 -1.27 -3.44 115.31 112.05 2h0f h LEU 54 Ca -0.45 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.20 2h0f h LEU 54 Cb 1.41 0.00 -0.21 0.00 0.37 0.00 0.00 40.66 42.23 2h0f h LEU 54 CO 0.47 0.12 0.03 -0.22 -0.34 0.00 0.00 178.44 178.50 2h0f s LEU 55 N -6.49 -0.31 0.03 2.25 2.96 -1.12 -4.97 118.68 111.03 2h0f s LEU 55 Ca 0.01 0.98 -0.28 0.00 -0.22 0.00 0.00 54.13 54.63 2h0f s LEU 55 Cb 0.09 2.14 0.09 0.00 0.50 0.00 0.00 46.19 49.02 2h0f s LEU 55 CO 0.61 -0.35 0.91 0.00 -1.32 0.00 0.00 176.35 176.20 2h0f s ALA 56 N -0.26 -1.79 0.00 5.97 0.00 -1.26 -0.96 121.76 123.47 2h0f s ALA 56 Ca -0.04 0.79 0.00 0.00 0.00 0.00 0.00 51.96 52.70 2h0f s ALA 56 Cb -0.03 0.47 0.00 0.00 0.00 0.00 0.00 23.12 23.56 2h0f s ALA 56 CO 0.04 -0.78 0.00 0.41 0.00 0.00 0.00 175.76 175.43 2h0f n GLY 57 N -0.30 1.20 0.30 0.00 0.00 -1.06 -2.02 105.19 103.31 2h0f n GLY 57 Ca -0.08 -0.27 -0.05 0.00 0.00 0.00 0.00 46.02 45.62 2h0f n GLY 57 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2h0f n GLU 58 N 13.57 -0.26 -0.38 1.61 1.02 -1.26 -0.89 120.64 134.06 2h0f n GLU 58 Ca 0.00 1.15 -0.01 0.00 -0.02 0.00 0.00 57.16 58.28 2h0f n GLU 58 Cb 0.00 -1.70 0.04 0.00 -0.02 0.00 0.00 31.44 29.76 2h0f n GLU 58 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 2h0f h GLU 59 N 0.00 -0.01 -7.13 3.49 5.08 -1.84 -3.50 114.58 110.68 2h0f h GLU 59 Ca 0.19 0.00 -0.52 0.00 -1.00 0.00 0.00 59.36 58.03 2h0f h GLU 59 Cb 0.38 0.00 0.12 0.00 0.50 0.00 0.00 28.75 29.75 2h0f h GLU 59 CO -0.73 -0.00 0.43 -1.17 -1.00 0.00 0.00 179.01 176.54 2h0f s LEU 60 N -10.94 3.55 -0.13 1.33 0.20 -0.06 -4.89 118.68 107.73 2h0f s LEU 60 Ca -0.14 2.29 -0.04 0.00 0.69 0.00 0.00 54.13 56.93 2h0f s LEU 60 Cb 0.20 -4.59 -0.03 0.00 -0.43 0.00 0.00 46.19 41.34 2h0f s LEU 60 CO 0.71 -1.71 0.02 -0.94 -0.29 0.00 0.00 176.35 174.14 2h0f s SER 62 N -1.88 5.34 0.00 3.68 1.04 -1.26 -4.81 113.70 115.81 2h0f s SER 62 Ca 0.74 0.10 0.00 0.00 0.48 0.00 0.00 55.95 57.27 2h0f s SER 62 Cb -0.28 -1.71 0.00 0.00 0.10 0.00 0.00 66.02 64.13 2h0f s SER 62 CO 0.37 0.28 0.00 0.61 0.98 0.00 0.00 173.24 175.48 2h0f n GLY 63 N 2.78 -0.57 3.75 7.32 0.00 -0.34 -4.97 105.19 113.16 2h0f n GLY 63 Ca -0.18 -1.39 -0.35 0.00 0.00 0.00 0.00 46.02 44.10 2h0f n GLY 63 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2h0f s GLU 64 N -2.00 3.91 0.38 1.61 2.02 -1.26 0.72 118.70 124.08 2h0f s GLU 64 Ca 0.00 -0.23 0.04 0.00 0.02 0.00 0.00 54.97 54.80 2h0f s GLU 64 Cb 0.00 -3.30 -0.06 0.00 0.10 0.00 0.00 34.13 30.88 2h0f s GLU 64 CO 0.00 0.43 0.05 0.71 0.02 0.00 0.00 175.26 176.47 2h0f s TYR 65 N -0.04 2.07 0.00 1.61 1.51 -0.50 0.29 117.35 122.28 2h0f s TYR 65 Ca 0.09 -0.93 0.00 0.00 -1.01 0.00 0.00 57.07 55.22 2h0f s TYR 65 Cb -0.12 -1.44 0.00 0.00 -0.11 0.00 0.00 41.96 40.30 2h0f s TYR 65 CO 0.00 0.10 0.00 0.28 -1.11 0.00 0.00 175.55 174.83 2h0f n VAL 66 N -0.87 0.00 -3.11 0.71 0.31 0.36 -2.24 118.33 113.49 2h0f n VAL 66 Ca -0.06 0.00 0.03 0.00 -0.01 0.00 0.00 64.34 64.30 2h0f n VAL 66 Cb 0.66 0.00 -0.00 0.00 -0.91 0.00 0.00 33.84 33.59 2h0f n VAL 66 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 2h0f s GLU 68 N -1.74 0.49 -0.08 5.55 2.02 0.60 -1.47 118.70 124.08 2h0f s GLU 68 Ca 0.00 0.14 -0.29 0.00 0.02 0.00 0.00 54.97 54.84 2h0f s GLU 68 Cb 0.00 0.13 -0.02 0.00 0.10 0.00 0.00 34.13 34.35 2h0f s GLU 68 CO 0.00 -0.81 0.97 -0.06 0.02 0.00 0.00 175.26 175.38 2h0f s PHE 69 N 2.45 3.56 -1.23 1.61 0.08 -0.23 -0.39 117.98 123.82 2h0f s PHE 69 Ca 0.16 1.58 -0.08 0.00 0.12 0.00 0.00 56.93 58.71 2h0f s PHE 69 Cb -0.05 -3.13 0.20 0.00 -0.57 0.00 0.00 43.02 39.47 2h0f s PHE 69 CO -0.18 -0.14 1.77 0.72 -0.10 0.00 0.00 175.22 177.28 2h0f n HIS 70 N 4.61 2.88 -0.08 0.36 8.25 -0.70 -0.12 115.22 130.41 2h0f n HIS 70 Ca 0.07 -2.77 -0.10 0.00 -0.26 0.00 0.00 57.72 54.66 2h0f n HIS 70 Cb 0.50 -1.80 -0.03 0.00 1.12 0.00 0.00 29.99 29.78 2h0f n HIS 70 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2h0f h ALA 71 N 5.73 0.36 -0.50 -1.41 0.00 -1.81 -3.04 119.26 118.59 2h0f h ALA 71 Ca 0.35 -0.08 0.09 0.00 0.00 0.00 0.00 54.91 55.27 2h0f h ALA 71 Cb 0.64 -0.11 -0.10 0.00 0.00 0.00 0.00 17.79 18.21 2h0f h ALA 71 CO 1.54 -0.09 -0.31 0.78 0.00 0.00 0.00 179.25 181.17 2h0f h GLY 72 N 0.33 -0.13 0.99 0.00 0.00 -0.52 -0.36 103.07 103.39 2h0f h GLY 72 Ca 0.10 0.40 -0.01 0.00 0.00 0.00 0.00 47.33 47.83 2h0f h GLY 72 CO -0.01 -0.21 0.35 -0.55 0.00 0.00 0.00 176.54 176.12 2h0f h ASP 73 N -0.19 0.71 0.02 0.19 3.32 -1.78 -0.65 116.42 118.05 2h0f h ASP 73 Ca 0.21 -0.07 0.01 0.00 0.02 0.00 0.00 57.03 57.20 2h0f h ASP 73 Cb 0.54 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.89 2h0f h ASP 73 CO -0.61 0.57 -0.07 0.22 -1.72 0.00 0.00 179.24 177.64 2h0f h TYR 74 N 0.80 -0.17 -0.39 4.55 3.20 -1.18 -0.99 116.97 122.80 2h0f h TYR 74 Ca 0.21 0.00 -0.09 0.00 3.14 0.00 0.00 58.73 62.00 2h0f h TYR 74 Cb -0.00 0.07 -0.02 0.00 1.54 0.00 0.00 36.73 38.32 2h0f h TYR 74 CO -0.02 -0.10 -0.13 0.74 -1.64 0.00 0.00 178.16 177.01 2h0f h PHE 75 N -0.13 0.76 -0.46 -3.82 0.04 -1.00 -2.66 116.94 109.67 2h0f h PHE 75 Ca 0.02 -0.14 0.08 0.00 2.80 0.00 0.00 57.97 60.73 2h0f h PHE 75 Cb 0.15 -0.20 -0.07 0.00 2.20 0.00 0.00 35.95 38.04 2h0f h PHE 75 CO -0.12 0.79 0.08 0.00 -0.60 0.00 0.00 178.31 178.45 2h0f h ALA 76 N 1.23 0.51 -0.22 2.45 0.00 -0.63 -0.68 119.26 121.92 2h0f h ALA 76 Ca 0.11 0.10 -0.04 0.00 0.00 0.00 0.00 54.91 55.07 2h0f h ALA 76 Cb 0.58 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 2h0f h ALA 76 CO 0.04 -0.32 -0.06 0.66 0.00 0.00 0.00 179.25 179.57 2h0f h SER 77 N 0.21 0.31 -0.03 0.00 4.64 -0.93 -1.64 113.55 116.12 2h0f h SER 77 Ca 0.23 -0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.50 2h0f h SER 77 Cb 0.30 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 2h0f h SER 77 CO -0.31 0.42 0.00 0.29 -0.87 0.00 0.00 176.83 176.36 2h0f n LYS 78 N -4.30 1.18 0.00 4.77 4.76 -0.35 -5.12 118.16 119.10 2h0f n LYS 78 Ca 0.00 -0.27 0.00 0.00 -2.87 0.00 0.00 58.31 55.17 2h0f n LYS 78 Cb 0.24 -1.38 0.00 0.00 -1.84 0.00 0.00 35.03 32.05 2h0f n LYS 78 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 2h0f n ASN 79 N -0.57 0.00 0.02 4.39 3.02 -0.62 -5.07 115.26 116.44 2h0f n ASN 79 Ca 0.17 0.00 -0.18 0.00 -0.03 0.00 0.00 54.58 54.54 2h0f n ASN 79 Cb 0.15 0.00 -0.14 0.00 -0.61 0.00 0.00 39.78 39.18 2h0f n ASN 79 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2h0f h ALA 82 N 1.00 -0.06 -3.00 5.41 0.00 -1.78 -3.50 119.26 117.32 2h0f h ALA 82 Ca 0.00 -0.64 0.00 0.00 0.00 0.00 0.00 54.91 54.27 2h0f h ALA 82 Cb 0.00 0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2h0f h ALA 82 CO 0.00 0.29 0.00 0.00 0.00 0.00 0.00 179.25 179.54 2h0f n ALA 83 N -2.65 0.00 0.07 0.00 0.00 -1.26 -4.96 120.51 111.71 2h0f n ALA 83 Ca -0.13 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.15 2h0f n ALA 83 Cb 0.73 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 20.10 2h0f n ALA 83 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2h0f h ASP 84 N 0.00 0.65 -2.50 0.00 3.32 -2.04 -3.37 116.42 112.48 2h0f h ASP 84 Ca 0.00 -0.55 -0.60 0.00 0.02 0.00 0.00 57.03 55.90 2h0f h ASP 84 Cb 0.00 -0.20 -0.41 0.00 0.22 0.00 0.00 39.33 38.94 2h0f h ASP 84 CO 0.00 1.36 -0.76 0.00 -1.72 0.00 0.00 179.24 178.12 2h0f n GLN 85 N -3.75 1.46 -1.71 3.56 6.02 -1.26 -5.11 117.38 116.59 2h0f n GLN 85 Ca -0.09 -4.03 -0.39 0.00 -0.01 0.00 0.00 57.00 52.49 2h0f n GLN 85 Cb 0.89 -1.96 0.04 0.00 1.02 0.00 0.00 30.24 30.24 2h0f n GLN 85 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 177.06 173.75 2h0f n PRO 86 N 1.76 1.49 0.29 -1.09 -0.02 -1.26 -4.94 135.00 131.23 2h0f n PRO 86 Ca 0.25 0.55 -0.16 0.00 -2.02 0.00 0.00 63.50 62.12 2h0f n PRO 86 Cb 0.43 -2.45 -0.08 0.00 -0.02 0.00 0.00 33.50 31.38 2h0f n PRO 86 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 2h0f h PHE 87 N 1.24 -0.66 -3.48 6.00 3.57 -1.97 -3.39 116.94 118.24 2h0f h PHE 87 Ca -0.50 -0.01 -0.61 0.00 3.53 0.00 0.00 57.97 60.38 2h0f h PHE 87 Cb 1.32 0.22 -0.13 0.00 2.79 0.00 0.00 35.95 40.15 2h0f h PHE 87 CO 0.44 -0.40 -0.39 -0.51 -2.23 0.00 0.00 178.31 175.21 2h0f s LEU 88 N -10.10 4.15 0.00 0.59 1.43 -1.26 -4.95 118.68 108.55 2h0f s LEU 88 Ca -0.17 0.30 0.00 0.00 -1.03 0.00 0.00 54.13 53.23 2h0f s LEU 88 Cb 0.04 -2.26 0.00 0.00 0.03 0.00 0.00 46.19 44.00 2h0f s LEU 88 CO 0.63 0.04 0.00 0.35 0.23 0.00 0.00 176.35 177.60 2h0f n THR 89 N 4.13 0.00 -4.03 5.49 -2.24 -1.26 -3.26 114.28 113.11 2h0f n THR 89 Ca -0.13 0.21 -0.31 0.00 -2.27 0.00 0.00 64.05 61.55 2h0f n THR 89 Cb 0.52 -1.19 -0.15 0.00 -2.10 0.00 0.00 70.33 67.41 2h0f n THR 89 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 2h0f s ILE 90 N -0.93 2.10 -0.24 2.28 1.01 -1.26 -0.15 121.20 124.01 2h0f s ILE 90 Ca 0.00 -1.83 -0.29 0.00 0.00 0.00 0.00 60.65 58.53 2h0f s ILE 90 Cb 0.00 -2.35 -0.01 0.00 0.01 0.00 0.00 42.46 40.11 2h0f s ILE 90 CO 0.00 -0.25 1.45 -0.69 0.00 0.00 0.00 174.94 175.44 2h0f s VAL 91 N 1.08 3.94 -0.14 2.92 1.01 0.84 -4.84 120.40 125.20 2h0f s VAL 91 Ca -0.01 1.07 -0.11 0.00 0.00 0.00 0.00 61.98 62.93 2h0f s VAL 91 Cb -0.19 -3.92 -0.05 0.00 0.00 0.00 0.00 36.38 32.22 2h0f s VAL 91 CO -0.07 -0.35 0.20 0.28 0.00 0.00 0.00 175.10 175.17 2h0f s THR 92 N 4.63 5.38 -0.24 3.92 -1.32 -1.26 -1.06 115.64 125.68 2h0f s THR 92 Ca 0.63 0.35 -0.01 0.00 -1.21 0.00 0.00 61.69 61.45 2h0f s THR 92 Cb -0.21 -3.51 0.07 0.00 -1.51 0.00 0.00 72.50 67.33 2h0f s THR 92 CO 0.25 0.50 0.03 -0.69 -2.21 0.00 0.00 174.62 172.50 2h0f s VAL 93 N -0.19 0.89 0.16 5.08 1.01 -1.26 -5.03 120.40 121.06 2h0f s VAL 93 Ca 0.14 -0.97 -0.08 0.00 0.00 0.00 0.00 61.98 61.07 2h0f s VAL 93 Cb -0.12 -1.41 -0.06 0.00 0.00 0.00 0.00 36.38 34.78 2h0f s VAL 93 CO 0.03 -0.31 0.45 -0.60 0.00 0.00 0.00 175.10 174.66 2h0f s ARG 94 N 1.67 3.72 -0.01 2.72 3.52 -1.26 -4.18 118.95 125.13 2h0f s ARG 94 Ca 0.01 0.11 -0.29 0.00 -0.13 0.00 0.00 55.73 55.43 2h0f s ARG 94 Cb -0.18 -2.82 0.10 0.00 -1.56 0.00 0.00 34.95 30.50 2h0f s ARG 94 CO -0.12 0.44 0.90 -0.59 -0.81 0.00 0.00 175.30 175.12 2h0f s PHE 95 N -1.65 -0.34 -0.13 5.12 -0.71 -0.95 -5.01 117.98 114.32 2h0f s PHE 95 Ca 0.41 0.20 0.01 0.00 -1.04 0.00 0.00 56.93 56.52 2h0f s PHE 95 Cb -0.12 0.54 -0.01 0.00 -1.21 0.00 0.00 43.02 42.22 2h0f s PHE 95 CO 0.22 -0.54 -0.17 -1.14 -1.34 0.00 0.00 175.22 172.25 2h0f s GLN 96 N -3.10 3.24 -0.48 1.99 0.74 -1.26 -1.41 119.66 119.38 2h0f s GLN 96 Ca 0.05 -0.76 -0.16 0.00 0.05 0.00 0.00 55.36 54.54 2h0f s GLN 96 Cb -0.01 -2.52 0.07 0.00 1.10 0.00 0.00 33.01 31.64 2h0f s GLN 96 CO -0.09 0.16 0.45 -0.51 -0.55 0.00 0.00 175.29 174.75 2h0f s LEU 97 N 0.45 5.44 -0.00 3.68 1.43 0.22 -4.94 118.68 124.96 2h0f s LEU 97 Ca -0.12 -1.20 -0.01 0.00 -1.03 0.00 0.00 54.13 51.77 2h0f s LEU 97 Cb -0.16 -2.25 -0.01 0.00 0.03 0.00 0.00 46.19 43.80 2h0f s LEU 97 CO 0.05 -0.69 0.46 0.00 0.23 0.00 0.00 176.35 176.40 2h0f h ALA 98 N 8.81 -0.45 -2.45 4.21 0.00 -1.96 -0.89 119.26 126.53 2h0f h ALA 98 Ca -0.28 -0.01 -0.56 0.00 0.00 0.00 0.00 54.91 54.06 2h0f h ALA 98 Cb 1.11 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.87 2h0f h ALA 98 CO 0.89 -0.45 0.34 0.34 0.00 0.00 0.00 179.25 180.37 2h0f s ASP 99 N -2.72 7.16 0.31 0.00 -1.08 -1.26 -4.62 116.67 114.46 2h0f s ASP 99 Ca -0.01 1.42 0.26 0.00 -0.52 0.00 0.00 52.55 53.70 2h0f s ASP 99 Cb 0.00 -2.50 0.83 0.00 -1.46 0.00 0.00 42.92 39.79 2h0f s ASP 99 CO 0.02 -0.29 1.75 -0.65 0.52 0.00 0.00 175.17 176.53 2h0f h PRO 100 N 6.95 0.00 -0.50 4.34 0.11 -1.87 -3.23 132.00 137.79 2h0f h PRO 100 Ca -0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.74 2h0f h PRO 100 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2h0f h PRO 100 CO 0.79 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 178.33 2h0f n ASP 101 N -2.52 3.57 -4.98 -2.05 8.00 -1.26 -1.61 116.55 115.70 2h0f n ASP 101 Ca 0.04 -1.98 -0.20 0.00 0.71 0.00 0.00 54.79 53.36 2h0f n ASP 101 Cb 0.38 -0.33 0.00 0.00 -0.02 0.00 0.00 41.12 41.16 2h0f n ASP 101 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2h0f s ALA 102 N -1.25 4.07 -0.17 2.24 0.00 -1.22 -4.12 121.76 121.31 2h0f s ALA 102 Ca 0.41 -1.33 -0.13 0.00 0.00 0.00 0.00 51.96 50.90 2h0f s ALA 102 Cb 0.23 -1.86 -0.05 0.00 0.00 0.00 0.00 23.12 21.44 2h0f s ALA 102 CO 0.31 -0.22 0.27 -1.01 0.00 0.00 0.00 175.76 175.11 2h0f s HIS 103 N -2.35 3.44 -0.24 0.00 3.76 -1.26 -1.07 115.29 117.57 2h0f s HIS 103 Ca 0.48 0.55 0.01 0.00 -0.15 0.00 0.00 55.06 55.95 2h0f s HIS 103 Cb -0.10 -2.32 0.06 0.00 1.11 0.00 0.00 32.58 31.33 2h0f s HIS 103 CO 0.34 0.23 -0.08 0.71 -0.85 0.00 0.00 174.74 175.09 2h0f s TYR 104 N 0.51 2.66 -0.33 1.40 2.02 0.24 -4.94 117.35 118.91 2h0f s TYR 104 Ca 0.15 -1.91 -0.01 0.00 -0.37 0.00 0.00 57.07 54.93 2h0f s TYR 104 Cb -0.13 -1.69 0.07 0.00 -0.40 0.00 0.00 41.96 39.81 2h0f s TYR 104 CO 0.03 -0.80 0.05 -1.01 -1.57 0.00 0.00 175.55 172.25 2h0f s HIS 105 N 1.31 3.39 -0.69 2.71 3.76 -1.26 -0.96 115.29 123.54 2h0f s HIS 105 Ca -0.06 -2.12 -0.04 0.00 -0.15 0.00 0.00 55.06 52.69 2h0f s HIS 105 Cb -0.19 -2.46 0.18 0.00 1.11 0.00 0.00 32.58 31.22 2h0f s HIS 105 CO -0.06 -0.86 0.53 0.42 -0.85 0.00 0.00 174.74 173.92 2h0f s ILE 106 N 1.19 3.99 0.93 0.60 1.01 -0.76 -0.58 121.20 127.58 2h0f s ILE 106 Ca -0.01 -3.11 -0.13 0.00 0.00 0.00 0.00 60.65 57.41 2h0f s ILE 106 Cb -0.20 -3.56 0.15 0.00 0.01 0.00 0.00 42.46 38.85 2h0f s ILE 106 CO -0.03 -0.93 1.15 -2.84 0.00 0.00 0.00 174.94 172.29 2h0f s PRO 107 N -0.31 0.99 -0.12 2.79 0.02 -1.14 -4.03 135.00 133.20 2h0f s PRO 107 Ca 0.19 0.23 -0.02 0.00 0.02 0.00 0.00 61.00 61.42 2h0f s PRO 107 Cb -0.17 -1.83 0.04 0.00 0.02 0.00 0.00 34.50 32.57 2h0f s PRO 107 CO -0.05 -2.29 0.02 -1.17 -0.33 0.00 0.00 177.00 173.18 2h0f s LEU 108 N -6.07 0.77 -0.26 -5.54 2.96 0.38 -3.35 118.68 107.57 2h0f s LEU 108 Ca 0.65 -0.39 -0.18 0.00 -0.22 0.00 0.00 54.13 53.99 2h0f s LEU 108 Cb -0.14 -0.48 -0.03 0.00 0.50 0.00 0.00 46.19 46.05 2h0f s LEU 108 CO 0.53 -0.25 0.52 -0.76 -1.32 0.00 0.00 176.35 175.08 2h0f s LEU 109 N 1.95 4.06 -0.02 -0.68 1.43 -0.55 -1.30 118.68 123.57 2h0f s LEU 109 Ca 0.03 0.53 0.07 0.00 -1.03 0.00 0.00 54.13 53.73 2h0f s LEU 109 Cb -0.14 -2.67 -0.02 0.00 0.03 0.00 0.00 46.19 43.39 2h0f s LEU 109 CO -0.06 -0.28 -0.22 -0.22 0.23 0.00 0.00 176.35 175.79 2h0f s LEU 110 N 2.28 2.04 0.04 1.79 2.96 0.17 -0.94 118.68 127.02 2h0f s LEU 110 Ca 0.21 -0.41 -0.02 0.00 -0.22 0.00 0.00 54.13 53.69 2h0f s LEU 110 Cb -0.16 -1.16 -0.03 0.00 0.50 0.00 0.00 46.19 45.35 2h0f s LEU 110 CO 0.09 0.27 0.01 -0.44 -1.32 0.00 0.00 176.35 174.95 2h0f s SER 111 N -0.46 0.33 0.39 3.68 0.01 -0.20 -1.33 113.70 116.11 2h0f s SER 111 Ca 0.07 -0.72 0.19 0.00 1.31 0.00 0.00 55.95 56.79 2h0f s SER 111 Cb -0.09 0.18 1.13 0.00 0.21 0.00 0.00 66.02 67.45 2h0f s SER 111 CO -0.00 -0.49 1.73 -0.65 0.41 0.00 0.00 173.24 174.24 2h0f h PRO 112 N 3.73 0.35 0.00 12.44 0.11 -2.00 -2.70 132.00 143.93 2h0f h PRO 112 Ca -0.33 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.74 2h0f h PRO 112 Cb 1.17 -0.08 -0.03 0.00 0.11 0.00 0.00 31.00 32.17 2h0f h PRO 112 CO 0.54 0.23 -0.44 1.19 -0.21 0.00 0.00 178.00 179.31 2h0f n PHE 113 N -4.71 0.00 0.00 0.65 3.01 -1.26 -4.27 117.46 110.89 2h0f n PHE 113 Ca 0.28 -1.27 0.00 0.00 1.01 0.00 0.00 57.45 57.47 2h0f n PHE 113 Cb 0.96 -0.22 0.00 0.00 -0.01 0.00 0.00 39.48 40.22 2h0f n PHE 113 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2h0f n GLY 114 N -1.02 1.36 3.48 1.37 0.00 -1.02 -5.12 105.19 104.25 2h0f n GLY 114 Ca 0.17 -0.73 -0.12 0.00 0.00 0.00 0.00 46.02 45.34 2h0f n GLY 114 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2h0f s TYR 115 N -2.00 -0.48 -0.09 1.61 1.13 -1.26 -1.03 117.35 115.23 2h0f s TYR 115 Ca 0.00 0.46 0.01 0.00 -1.41 0.00 0.00 57.07 56.13 2h0f s TYR 115 Cb 0.00 0.52 -0.02 0.00 -1.10 0.00 0.00 41.96 41.35 2h0f s TYR 115 CO 0.00 -0.66 -0.12 -1.14 -2.51 0.00 0.00 175.55 171.13 2h0f s GLN 116 N -2.82 3.01 -0.14 -3.49 2.00 -0.12 -4.97 119.66 113.12 2h0f s GLN 116 Ca -0.00 -0.65 0.02 0.00 -2.00 0.00 0.00 55.36 52.72 2h0f s GLN 116 Cb -0.01 -2.56 0.01 0.00 0.80 0.00 0.00 33.01 31.26 2h0f s GLN 116 CO -0.06 0.43 -0.20 0.08 -0.50 0.00 0.00 175.29 175.04 2h0f s VAL 117 N -0.20 1.91 0.13 1.34 1.01 -1.26 -1.48 120.40 121.85 2h0f s VAL 117 Ca 0.01 -0.88 -0.08 0.00 0.00 0.00 0.00 61.98 61.03 2h0f s VAL 117 Cb -0.13 -1.71 -0.01 0.00 0.00 0.00 0.00 36.38 34.53 2h0f s VAL 117 CO 0.03 0.52 0.23 -0.72 0.00 0.00 0.00 175.10 175.16 2h0f s TYR 118 N 0.98 0.32 -0.63 5.22 1.13 -1.21 -5.06 117.35 118.10 2h0f s TYR 118 Ca -0.04 -0.72 -0.17 0.00 -1.41 0.00 0.00 57.07 54.73 2h0f s TYR 118 Cb -0.15 -0.09 0.14 0.00 -1.10 0.00 0.00 41.96 40.76 2h0f s TYR 118 CO -0.04 -0.63 0.65 0.50 -2.51 0.00 0.00 175.55 173.52 2h0f s ARG 119 N -3.93 3.16 0.00 -3.49 3.52 -1.26 -2.91 118.95 114.04 2h0f s ARG 119 Ca 0.12 -1.74 0.00 0.00 -0.13 0.00 0.00 55.73 53.98 2h0f s ARG 119 Cb 0.04 -4.35 0.00 0.00 -1.56 0.00 0.00 34.95 29.09 2h0f s ARG 119 CO -0.05 -1.41 0.00 0.41 -0.81 0.00 0.00 175.30 173.44 2h0f n GLY 120 N 5.02 0.43 0.64 8.12 0.00 0.26 -5.01 105.19 114.65 2h0f n GLY 120 Ca -0.05 -1.83 0.08 0.00 0.00 0.00 0.00 46.02 44.21 2h0f n GLY 120 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06