#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h6x n THR 4 N 0.00 0.07 -3.75 3.15 -1.04 -1.26 -5.08 114.28 106.37 3h6x n THR 4 Ca 0.00 0.02 -0.11 0.00 -2.04 0.00 0.00 64.05 61.92 3h6x n THR 4 Cb 0.00 -0.52 -0.07 0.00 -1.82 0.00 0.00 70.33 67.92 3h6x n THR 4 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3h6x s ARG 5 N -1.12 0.82 0.00 -2.82 1.70 -1.26 -3.47 118.95 112.80 3h6x s ARG 5 Ca 0.00 -0.52 0.00 0.00 -0.47 0.00 0.00 55.73 54.74 3h6x s ARG 5 Cb 0.00 0.36 0.00 0.00 -0.57 0.00 0.00 34.95 34.74 3h6x s ARG 5 CO 0.00 -0.27 0.00 0.41 -1.08 0.00 0.00 175.30 174.36 3h6x n GLY 6 N 0.53 -1.22 3.46 3.88 0.00 -0.47 -4.98 105.19 106.39 3h6x n GLY 6 Ca -0.18 -1.14 -0.29 0.00 0.00 0.00 0.00 46.02 44.40 3h6x n GLY 6 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3h6x s PHE 7 N -3.00 2.46 0.03 1.61 0.08 -1.26 -1.25 117.98 116.65 3h6x s PHE 7 Ca 0.00 -0.30 0.02 0.00 0.12 0.00 0.00 56.93 56.77 3h6x s PHE 7 Cb 0.00 -1.32 -0.02 0.00 -0.57 0.00 0.00 43.02 41.11 3h6x s PHE 7 CO 0.00 0.37 -0.07 -1.21 -0.10 0.00 0.00 175.22 174.21 3h6x s GLU 8 N -2.10 0.49 0.35 0.44 2.02 -0.53 -4.99 118.70 114.40 3h6x s GLU 8 Ca 0.17 -0.67 -0.28 0.00 0.02 0.00 0.00 54.97 54.20 3h6x s GLU 8 Cb -0.10 -0.27 -0.10 0.00 0.10 0.00 0.00 34.13 33.76 3h6x s GLU 8 CO 0.09 0.05 1.36 -0.51 0.02 0.00 0.00 175.26 176.26 3h6x s LEU 9 N -1.38 4.37 0.79 1.80 1.43 -1.26 -0.87 118.68 123.55 3h6x s LEU 9 Ca -0.09 2.79 -0.11 0.00 -1.03 0.00 0.00 54.13 55.68 3h6x s LEU 9 Cb -0.09 -3.69 0.06 0.00 0.03 0.00 0.00 46.19 42.50 3h6x s LEU 9 CO 0.00 -0.67 1.09 0.27 0.23 0.00 0.00 176.35 177.27 3h6x s ILE 10 N -1.15 3.24 0.57 -0.59 -4.36 -0.54 -4.80 121.20 113.57 3h6x s ILE 10 Ca 0.51 0.40 0.28 0.00 -0.26 0.00 0.00 60.65 61.58 3h6x s ILE 10 Cb -0.41 -3.10 0.34 0.00 1.25 0.00 0.00 42.46 40.54 3h6x s ILE 10 CO 0.55 -0.53 2.23 0.71 0.24 0.00 0.00 174.94 178.15 3h6x h THR 11 N -1.07 0.58 0.00 8.37 1.35 -1.95 -2.34 112.91 117.84 3h6x h THR 11 Ca -0.46 -0.04 0.00 0.00 -0.55 0.00 0.00 66.41 65.35 3h6x h THR 11 Cb 1.26 1.03 0.00 0.00 -1.73 0.00 0.00 68.15 68.70 3h6x h THR 11 CO 0.58 0.01 0.00 0.47 -0.25 0.00 0.00 175.52 176.33 3h6x n ASP 12 N -3.90 0.39 -4.14 5.36 8.00 -1.26 -4.76 116.55 116.24 3h6x n ASP 12 Ca -0.03 0.57 -0.20 0.00 0.71 0.00 0.00 54.79 55.84 3h6x n ASP 12 Cb 0.09 -0.66 -0.13 0.00 -0.02 0.00 0.00 41.12 40.39 3h6x n ASP 12 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3h6x s TYR 13 N -3.13 1.23 0.00 1.24 2.02 -0.88 -5.04 117.35 112.78 3h6x s TYR 13 Ca 0.08 -0.34 0.00 0.00 -0.37 0.00 0.00 57.07 56.43 3h6x s TYR 13 Cb 0.11 -0.73 0.00 0.00 -0.40 0.00 0.00 41.96 40.94 3h6x s TYR 13 CO 0.41 0.03 0.21 0.25 -1.57 0.00 0.00 175.55 174.88 3h6x n THR 14 N 1.97 0.00 -2.41 -0.71 -2.24 -1.26 -4.52 114.28 105.11 3h6x n THR 14 Ca -0.18 -0.31 -0.43 0.00 -2.27 0.00 0.00 64.05 60.86 3h6x n THR 14 Cb 0.55 1.26 -0.02 0.00 -2.10 0.00 0.00 70.33 70.01 3h6x n THR 14 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3h6x s ASP 15 N -0.20 6.36 0.01 3.42 -1.08 -1.26 -4.87 116.67 119.06 3h6x s ASP 15 Ca 0.00 0.65 0.15 0.00 -0.52 0.00 0.00 52.55 52.83 3h6x s ASP 15 Cb 0.00 -2.54 0.64 0.00 -1.46 0.00 0.00 42.92 39.56 3h6x s ASP 15 CO 0.00 -1.45 1.48 -0.62 0.52 0.00 0.00 175.17 175.10 3h6x n GLU 16 N 8.14 0.01 0.29 4.34 1.02 -1.26 -1.38 120.64 131.80 3h6x n GLU 16 Ca 0.15 0.26 0.17 0.00 -0.02 0.00 0.00 57.16 57.72 3h6x n GLU 16 Cb 0.48 -1.52 0.97 0.00 -0.02 0.00 0.00 31.44 31.35 3h6x n GLU 16 CO 0.00 0.00 0.00 -0.97 1.18 0.00 0.00 177.13 177.34 3h6x h ASN 17 N 0.00 0.00 1.03 1.62 -1.24 -2.04 -1.96 115.58 112.98 3h6x h ASN 17 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 3h6x h ASN 17 Cb 0.26 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.31 3h6x h ASN 17 CO 0.00 0.00 0.00 0.18 -1.29 0.00 0.00 177.43 176.32 3h6x n LEU 18 N -3.66 0.21 -4.67 0.34 4.77 -0.48 -4.79 117.00 108.72 3h6x n LEU 18 Ca -0.02 0.53 -0.42 0.00 -0.03 0.00 0.00 56.01 56.06 3h6x n LEU 18 Cb 0.12 -0.46 -0.03 0.00 -2.33 0.00 0.00 43.42 40.72 3h6x n LEU 18 CO 0.26 -0.10 1.16 -0.76 -1.33 0.00 0.00 177.39 176.62 3h6x s LEU 19 N -3.41 4.27 0.44 2.23 1.43 -0.74 -4.57 118.68 118.33 3h6x s LEU 19 Ca 0.12 2.00 -0.24 0.00 -1.03 0.00 0.00 54.13 54.98 3h6x s LEU 19 Cb 0.16 -3.55 -0.08 0.00 0.03 0.00 0.00 46.19 42.76 3h6x s LEU 19 CO 0.50 -0.78 1.23 -2.84 0.23 0.00 0.00 176.35 174.70 3h6x s PRO 20 N 3.14 3.80 0.19 1.29 0.02 -1.26 -5.04 135.00 137.15 3h6x s PRO 20 Ca 0.63 1.95 0.02 0.00 0.02 0.00 0.00 61.00 63.63 3h6x s PRO 20 Cb -0.29 -2.54 -0.05 0.00 0.02 0.00 0.00 34.50 31.64 3h6x s PRO 20 CO 0.23 -0.57 0.00 -1.59 -0.33 0.00 0.00 177.00 174.75 3h6x s LYS 21 N -2.51 1.19 0.15 5.54 -2.85 -1.26 -4.83 119.74 115.18 3h6x s LYS 21 Ca 0.61 -1.59 -0.19 0.00 -1.00 0.00 0.00 55.97 53.81 3h6x s LYS 21 Cb -0.33 -0.39 -0.07 0.00 -2.06 0.00 0.00 37.83 34.98 3h6x s LYS 21 CO 0.41 -0.12 0.64 1.03 0.10 0.00 0.00 175.35 177.41 3h6x s ARG 22 N -3.90 4.21 0.20 1.78 0.52 -1.26 -1.53 118.95 118.97 3h6x s ARG 22 Ca 0.26 0.77 0.03 0.00 -0.52 0.00 0.00 55.73 56.27 3h6x s ARG 22 Cb 0.06 -3.05 0.12 0.00 0.52 0.00 0.00 34.95 32.60 3h6x s ARG 22 CO 0.06 0.51 1.47 1.49 0.02 0.00 0.00 175.30 178.85 3h6x h GLU 23 N 3.91 0.24 -4.78 3.54 4.81 -1.95 -3.46 114.58 116.91 3h6x h GLU 23 Ca -0.49 -0.20 -0.29 0.00 -0.13 0.00 0.00 59.36 58.25 3h6x h GLU 23 Cb 1.20 0.04 -0.15 0.00 0.63 0.00 0.00 28.75 30.48 3h6x h GLU 23 CO 0.65 0.87 -0.65 0.95 -0.73 0.00 0.00 179.01 180.10 3h6x s THR 24 N -3.52 0.55 0.23 0.32 -4.23 -1.26 -5.05 115.64 102.68 3h6x s THR 24 Ca -0.04 -1.98 0.36 0.00 -1.18 0.00 0.00 61.69 58.86 3h6x s THR 24 Cb 0.11 -2.27 0.40 0.00 1.34 0.00 0.00 72.50 72.08 3h6x s THR 24 CO 0.81 -0.32 2.08 0.00 -0.54 0.00 0.00 174.62 176.65 3h6x h ALA 25 N 2.62 1.00 -0.11 3.99 0.00 -2.03 -2.58 119.26 122.16 3h6x h ALA 25 Ca -0.37 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.54 3h6x h ALA 25 Cb 1.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.01 3h6x h ALA 25 CO 0.61 0.00 0.00 0.72 0.00 0.00 0.00 179.25 180.58 3h6x n HIS 26 N -3.05 0.18 -2.02 0.00 8.25 -1.26 -5.04 115.22 112.27 3h6x n HIS 26 Ca -0.00 -0.57 -0.37 0.00 -0.26 0.00 0.00 57.72 56.52 3h6x n HIS 26 Cb 0.24 -0.07 0.02 0.00 1.12 0.00 0.00 29.99 31.30 3h6x n HIS 26 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3h6x s ALA 27 N -1.29 2.71 0.04 -1.41 0.00 -0.97 -4.94 121.76 115.90 3h6x s ALA 27 Ca 0.12 1.07 0.01 0.00 0.00 0.00 0.00 51.96 53.16 3h6x s ALA 27 Cb 0.08 -3.46 -0.25 0.00 0.00 0.00 0.00 23.12 19.48 3h6x s ALA 27 CO 0.05 -1.09 1.01 0.00 0.00 0.00 0.00 175.76 175.73 3h6x h ALA 28 N 1.29 0.32 -2.97 0.00 0.00 -1.96 -3.48 119.26 112.47 3h6x h ALA 28 Ca -0.50 -1.05 -0.64 0.00 0.00 0.00 0.00 54.91 52.71 3h6x h ALA 28 Cb 1.29 0.13 -0.07 0.00 0.00 0.00 0.00 17.79 19.13 3h6x h ALA 28 CO 0.57 1.19 -0.54 0.20 0.00 0.00 0.00 179.25 180.67 3h6x s GLY 29 N -4.84 2.10 -0.21 0.00 0.00 -1.26 -4.60 107.32 98.50 3h6x s GLY 29 Ca -0.05 -0.84 -0.10 0.00 0.00 0.00 0.00 44.72 43.74 3h6x s GLY 29 CO 0.85 -0.74 0.13 -0.19 0.00 0.00 0.00 173.10 173.15 3h6x s TYR 30 N -1.30 3.36 -0.43 1.90 1.51 0.42 -4.35 117.35 118.45 3h6x s TYR 30 Ca 0.26 0.26 -0.24 0.00 -1.01 0.00 0.00 57.07 56.34 3h6x s TYR 30 Cb -0.12 -2.19 0.02 0.00 -0.11 0.00 0.00 41.96 39.56 3h6x s TYR 30 CO 0.18 0.19 0.85 -0.51 -1.11 0.00 0.00 175.55 175.15 3h6x s ASP 31 N 0.63 6.49 0.35 2.29 1.01 -0.58 -0.13 116.67 126.72 3h6x s ASP 31 Ca 0.07 0.12 -0.20 0.00 0.71 0.00 0.00 52.55 53.25 3h6x s ASP 31 Cb -0.12 -2.42 -0.10 0.00 1.01 0.00 0.00 42.92 41.29 3h6x s ASP 31 CO 0.01 -0.93 0.85 -0.76 0.21 0.00 0.00 175.17 174.54 3h6x s LEU 32 N 3.46 4.10 0.30 1.23 1.02 -0.23 -4.08 118.68 124.48 3h6x s LEU 32 Ca 0.34 1.54 0.11 0.00 0.02 0.00 0.00 54.13 56.14 3h6x s LEU 32 Cb -0.11 -4.17 -0.06 0.00 0.02 0.00 0.00 46.19 41.87 3h6x s LEU 32 CO 0.23 -0.21 -0.15 -0.54 0.02 0.00 0.00 176.35 175.70 3h6x s LYS 33 N -2.76 1.71 -0.06 1.70 1.02 -1.26 -0.89 119.74 119.20 3h6x s LYS 33 Ca 0.55 -1.83 -0.30 0.00 0.02 0.00 0.00 55.97 54.41 3h6x s LYS 33 Cb -0.12 -1.69 -0.03 0.00 -0.52 0.00 0.00 37.83 35.46 3h6x s LYS 33 CO 0.17 0.24 1.24 0.08 -0.92 0.00 0.00 175.35 176.16 3h6x s VAL 34 N -2.59 4.19 0.10 3.17 1.01 0.32 -4.22 120.40 122.38 3h6x s VAL 34 Ca 0.31 1.51 0.08 0.00 0.00 0.00 0.00 61.98 63.88 3h6x s VAL 34 Cb -0.02 -3.97 -0.16 0.00 0.00 0.00 0.00 36.38 32.23 3h6x s VAL 34 CO 0.15 -0.02 1.33 0.00 0.00 0.00 0.00 175.10 176.56 3h6x h ALA 35 N 7.61 0.45 -2.51 5.51 0.00 -1.14 0.15 119.26 129.33 3h6x h ALA 35 Ca -0.34 -0.82 -0.08 0.00 0.00 0.00 0.00 54.91 53.67 3h6x h ALA 35 Cb 1.16 -0.14 -0.17 0.00 0.00 0.00 0.00 17.79 18.63 3h6x h ALA 35 CO 0.90 1.13 -0.14 -1.83 0.00 0.00 0.00 179.25 179.30 3h6x s GLU 36 N -2.82 0.87 0.11 0.00 -1.05 -1.26 -4.76 118.70 109.79 3h6x s GLU 36 Ca 0.01 -0.35 -0.36 0.00 -0.15 0.00 0.00 54.97 54.13 3h6x s GLU 36 Cb 0.10 0.39 -0.16 0.00 -0.44 0.00 0.00 34.13 34.02 3h6x s GLU 36 CO 0.80 -0.29 1.44 -2.13 0.95 0.00 0.00 175.26 176.04 3h6x n ARG 37 N 0.62 1.55 -3.83 -4.83 0.63 -1.26 -4.44 116.66 105.10 3h6x n ARG 37 Ca -0.19 0.56 -0.22 0.00 -0.92 0.00 0.00 57.85 57.08 3h6x n ARG 37 Cb 0.59 -2.25 -0.17 0.00 0.45 0.00 0.00 32.46 31.07 3h6x n ARG 37 CO 0.00 0.00 0.00 0.99 -2.51 0.00 0.00 177.63 176.11 3h6x s THR 38 N 0.69 0.34 -0.03 5.15 2.01 0.12 -4.96 115.64 118.96 3h6x s THR 38 Ca 0.82 0.11 -0.12 0.00 0.31 0.00 0.00 61.69 62.81 3h6x s THR 38 Cb -0.84 -0.48 -0.05 0.00 0.01 0.00 0.00 72.50 71.13 3h6x s THR 38 CO 0.43 0.24 0.33 -1.61 -0.69 0.00 0.00 174.62 173.32 3h6x s GLU 39 N 1.73 3.77 -0.22 4.92 2.02 -1.26 -0.60 118.70 129.06 3h6x s GLU 39 Ca 0.01 0.24 0.00 0.00 0.02 0.00 0.00 54.97 55.25 3h6x s GLU 39 Cb -0.13 -3.20 0.06 0.00 0.10 0.00 0.00 34.13 30.96 3h6x s GLU 39 CO -0.04 0.71 -0.05 0.42 0.02 0.00 0.00 175.26 176.33 3h6x s ILE 40 N -1.08 1.39 0.84 -1.63 1.01 0.45 -5.00 121.20 117.19 3h6x s ILE 40 Ca 0.21 -1.07 -0.12 0.00 0.00 0.00 0.00 60.65 59.68 3h6x s ILE 40 Cb -0.15 -1.66 0.11 0.00 0.01 0.00 0.00 42.46 40.77 3h6x s ILE 40 CO 0.11 -0.07 1.17 -0.44 0.00 0.00 0.00 174.94 175.71 3h6x s SER 41 N 1.47 3.43 -0.04 3.58 0.01 -1.26 -1.24 113.70 119.65 3h6x s SER 41 Ca -0.04 2.23 -0.37 0.00 1.31 0.00 0.00 55.95 59.07 3h6x s SER 41 Cb -0.18 -2.57 -0.15 0.00 0.21 0.00 0.00 66.02 63.32 3h6x s SER 41 CO -0.07 -2.76 1.57 0.00 0.41 0.00 0.00 173.24 172.39 3h6x n ALA 42 N -3.70 -0.18 -0.80 1.44 0.00 -1.26 -1.31 120.51 114.70 3h6x n ALA 42 Ca 0.12 0.44 0.00 0.00 0.00 0.00 0.00 53.44 54.00 3h6x n ALA 42 Cb 0.51 -2.21 0.00 0.00 0.00 0.00 0.00 19.45 17.75 3h6x n ALA 42 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h6x n GLY 43 N 3.42 0.64 3.89 0.00 0.00 -0.16 -5.00 105.19 107.98 3h6x n GLY 43 Ca 0.21 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.94 3h6x n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h6x s ALA 44 N -2.85 3.37 -0.18 4.61 0.00 -0.43 -4.74 121.76 121.54 3h6x s ALA 44 Ca 0.00 -0.31 -0.04 0.00 0.00 0.00 0.00 51.96 51.60 3h6x s ALA 44 Cb 0.00 -2.66 -0.03 0.00 0.00 0.00 0.00 23.12 20.43 3h6x s ALA 44 CO 0.00 -0.14 -0.02 0.42 0.00 0.00 0.00 175.76 176.02 3h6x s ILE 45 N -2.51 3.92 -0.02 0.00 1.01 -1.26 -1.60 121.20 120.73 3h6x s ILE 45 Ca 0.50 -0.34 0.03 0.00 0.00 0.00 0.00 60.65 60.84 3h6x s ILE 45 Cb -0.10 -2.75 0.00 0.00 0.01 0.00 0.00 42.46 39.62 3h6x s ILE 45 CO 0.37 0.46 -0.10 -0.69 0.00 0.00 0.00 174.94 174.98 3h6x s VAL 46 N 0.69 0.83 -0.43 2.92 1.01 -1.26 -5.01 120.40 119.15 3h6x s VAL 46 Ca -0.01 -0.40 -0.28 0.00 0.00 0.00 0.00 61.98 61.30 3h6x s VAL 46 Cb -0.14 -0.73 0.02 0.00 0.00 0.00 0.00 36.38 35.54 3h6x s VAL 46 CO 0.02 0.25 1.05 -0.76 0.00 0.00 0.00 175.10 175.66 3h6x s LEU 47 N 0.10 3.82 -0.24 3.92 1.43 -1.26 -4.39 118.68 122.06 3h6x s LEU 47 Ca -0.02 0.51 -0.16 0.00 -1.03 0.00 0.00 54.13 53.43 3h6x s LEU 47 Cb -0.08 -3.43 -0.04 0.00 0.03 0.00 0.00 46.19 42.68 3h6x s LEU 47 CO 0.00 -1.09 0.40 -0.69 0.23 0.00 0.00 176.35 175.20 3h6x s VAL 48 N 4.02 5.17 0.45 -1.59 1.01 0.32 -4.87 120.40 124.91 3h6x s VAL 48 Ca 0.44 0.66 -0.23 0.00 0.00 0.00 0.00 61.98 62.84 3h6x s VAL 48 Cb -0.09 -3.72 -0.08 0.00 0.00 0.00 0.00 36.38 32.49 3h6x s VAL 48 CO 0.26 0.19 1.13 -2.16 0.00 0.00 0.00 175.10 174.52 3h6x s PRO 49 N 1.80 3.86 -0.00 2.72 0.04 -1.26 -1.09 135.00 141.06 3h6x s PRO 49 Ca 0.17 1.70 0.04 0.00 0.04 0.00 0.00 61.00 62.96 3h6x s PRO 49 Cb -0.15 -2.43 -0.06 0.00 0.04 0.00 0.00 34.50 31.90 3h6x s PRO 49 CO 0.09 -0.45 0.14 2.41 0.04 0.00 0.00 177.00 179.23 3h6x n THR 50 N -0.40 0.00 -0.79 1.26 -1.04 -1.04 -0.73 114.28 111.54 3h6x n THR 50 Ca 0.07 -0.25 0.00 0.00 -2.04 0.00 0.00 64.05 61.83 3h6x n THR 50 Cb 0.49 0.69 0.00 0.00 -1.82 0.00 0.00 70.33 69.68 3h6x n THR 50 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3h6x n GLY 51 N 1.69 1.16 3.34 3.41 0.00 -1.26 -4.43 105.19 109.10 3h6x n GLY 51 Ca -0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 3h6x n GLY 51 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3h6x s VAL 52 N -3.49 1.74 0.30 1.61 -7.23 -1.26 -1.47 120.40 110.60 3h6x s VAL 52 Ca 0.00 -2.11 0.09 0.00 -1.81 0.00 0.00 61.98 58.15 3h6x s VAL 52 Cb 0.00 -1.96 -0.06 0.00 0.56 0.00 0.00 36.38 34.92 3h6x s VAL 52 CO 0.00 -0.52 -0.10 -1.59 -0.31 0.00 0.00 175.10 172.58 3h6x s LYS 53 N -3.38 1.66 -0.03 4.82 -2.85 -0.05 -1.19 119.74 118.72 3h6x s LYS 53 Ca 0.20 -1.83 0.02 0.00 -1.00 0.00 0.00 55.97 53.36 3h6x s LYS 53 Cb -0.02 -1.48 0.01 0.00 -2.06 0.00 0.00 37.83 34.28 3h6x s LYS 53 CO 0.07 0.14 -0.08 0.00 0.10 0.00 0.00 175.35 175.58 3h6x s ALA 54 N -2.76 0.83 0.34 0.59 0.00 -1.26 -1.45 121.76 118.05 3h6x s ALA 54 Ca 0.30 -0.25 0.08 0.00 0.00 0.00 0.00 51.96 52.09 3h6x s ALA 54 Cb 0.01 -0.36 -0.04 0.00 0.00 0.00 0.00 23.12 22.74 3h6x s ALA 54 CO 0.14 0.10 0.21 1.52 0.00 0.00 0.00 175.76 177.72 3h6x s TYR 55 N 0.42 2.77 0.41 0.00 -0.85 -0.38 -4.32 117.35 115.41 3h6x s TYR 55 Ca -0.07 -0.36 0.06 0.00 -0.52 0.00 0.00 57.07 56.18 3h6x s TYR 55 Cb -0.11 -1.73 0.01 0.00 0.38 0.00 0.00 41.96 40.51 3h6x s TYR 55 CO 0.01 0.26 0.57 -0.65 -1.52 0.00 0.00 175.55 174.22 3h6x s GLN 57 N -3.91 2.89 0.37 -3.49 -0.21 -1.23 -1.37 119.66 112.71 3h6x s GLN 57 Ca 0.39 -1.07 -0.28 0.00 0.02 0.00 0.00 55.36 54.42 3h6x s GLN 57 Cb -0.03 -2.73 -0.10 0.00 1.00 0.00 0.00 33.01 31.14 3h6x s GLN 57 CO 0.24 -0.23 1.39 0.14 -2.12 0.00 0.00 175.29 174.71 3h6x s VAL 58 N -2.36 2.40 0.00 1.09 -7.23 -1.26 -2.26 120.40 110.77 3h6x s VAL 58 Ca 0.52 0.39 0.00 0.00 -1.81 0.00 0.00 61.98 61.08 3h6x s VAL 58 Cb -0.10 -3.25 0.00 0.00 0.56 0.00 0.00 36.38 33.60 3h6x s VAL 58 CO 0.33 0.09 0.00 0.61 -0.31 0.00 0.00 175.10 175.82 3h6x n GLY 59 N 0.63 0.58 3.48 2.32 0.00 -1.26 -5.04 105.19 105.90 3h6x n GLY 59 Ca 0.01 -0.09 -0.29 0.00 0.00 0.00 0.00 46.02 45.66 3h6x n GLY 59 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3h6x s GLU 60 N -0.32 1.73 0.07 1.61 2.02 -0.96 -0.93 118.70 121.92 3h6x s GLU 60 Ca 0.00 -1.27 0.03 0.00 0.02 0.00 0.00 54.97 53.75 3h6x s GLU 60 Cb 0.00 -2.05 -0.03 0.00 0.10 0.00 0.00 34.13 32.15 3h6x s GLU 60 CO 0.00 0.46 -0.09 0.54 0.02 0.00 0.00 175.26 176.19 3h6x s VAL 61 N -1.30 0.72 -0.20 2.63 0.11 -1.26 -4.36 120.40 116.75 3h6x s VAL 61 Ca 0.19 -1.47 -0.03 0.00 -2.93 0.00 0.00 61.98 57.74 3h6x s VAL 61 Cb -0.10 -1.12 -0.01 0.00 -1.53 0.00 0.00 36.38 33.63 3h6x s VAL 61 CO 0.10 -0.55 -0.07 -0.22 -3.33 0.00 0.00 175.10 171.03 3h6x s LEU 62 N -2.20 2.79 -0.10 2.54 2.96 -0.90 -4.34 118.68 119.42 3h6x s LEU 62 Ca 0.00 -0.40 -0.05 0.00 -0.22 0.00 0.00 54.13 53.46 3h6x s LEU 62 Cb -0.04 -1.69 -0.04 0.00 0.50 0.00 0.00 46.19 44.92 3h6x s LEU 62 CO -0.01 0.01 0.10 -0.31 -1.32 0.00 0.00 176.35 174.82 3h6x s TYR 63 N 1.27 3.46 -0.22 5.38 2.02 -0.25 -0.73 117.35 128.29 3h6x s TYR 63 Ca 0.03 0.42 -0.06 0.00 -0.37 0.00 0.00 57.07 57.09 3h6x s TYR 63 Cb -0.14 -1.89 -0.03 0.00 -0.40 0.00 0.00 41.96 39.50 3h6x s TYR 63 CO -0.03 0.65 0.03 -0.51 -1.57 0.00 0.00 175.55 174.12 3h6x s LEU 64 N -1.03 3.35 0.14 -1.29 1.43 0.84 -1.02 118.68 121.10 3h6x s LEU 64 Ca 0.15 -0.19 0.08 0.00 -1.03 0.00 0.00 54.13 53.14 3h6x s LEU 64 Cb -0.12 -1.87 -0.04 0.00 0.03 0.00 0.00 46.19 44.19 3h6x s LEU 64 CO 0.04 0.04 -0.09 -0.36 0.23 0.00 0.00 176.35 176.21 3h6x s PHE 65 N 1.18 2.70 0.70 0.29 0.08 0.43 -0.96 117.98 122.39 3h6x s PHE 65 Ca 0.04 -0.19 -0.16 0.00 0.12 0.00 0.00 56.93 56.73 3h6x s PHE 65 Cb -0.14 -1.36 0.02 0.00 -0.57 0.00 0.00 43.02 40.96 3h6x s PHE 65 CO 0.02 0.47 1.26 0.34 -0.10 0.00 0.00 175.22 177.21 3h6x s ASP 66 N -2.53 4.29 0.24 1.36 -1.08 -1.26 -0.74 116.67 116.95 3h6x s ASP 66 Ca 0.23 2.52 -0.26 0.00 -0.52 0.00 0.00 52.55 54.51 3h6x s ASP 66 Cb -0.10 -2.61 -0.09 0.00 -1.46 0.00 0.00 42.92 38.67 3h6x s ASP 66 CO 0.15 -2.21 0.86 -0.13 0.52 0.00 0.00 175.17 174.36 3h6x s ARG 67 N -3.65 4.63 0.29 4.34 0.52 -1.25 -4.60 118.95 119.23 3h6x s ARG 67 Ca 0.79 1.27 0.03 0.00 -0.52 0.00 0.00 55.73 57.30 3h6x s ARG 67 Cb -0.34 -3.11 0.64 0.00 0.52 0.00 0.00 34.95 32.66 3h6x s ARG 67 CO 0.43 0.46 1.79 1.03 0.02 0.00 0.00 175.30 179.04 3h6x h SER 68 N 3.88 0.78 1.04 0.23 0.87 -1.96 -1.45 113.55 116.93 3h6x h SER 68 Ca -0.46 0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.18 3h6x h SER 68 Cb 1.20 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 63.10 3h6x h SER 68 CO 0.66 0.33 0.00 -1.54 -0.53 0.00 0.00 176.83 175.75 3h6x n SER 69 N -4.74 0.17 0.07 6.23 3.41 -1.26 -4.04 113.62 113.46 3h6x n SER 69 Ca 0.21 0.52 -0.11 0.00 -0.26 0.00 0.00 58.87 59.22 3h6x n SER 69 Cb 0.48 -0.56 -0.05 0.00 -0.26 0.00 0.00 64.21 63.82 3h6x n SER 69 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 3h6x h ASN 70 N 0.00 -0.48 -0.04 4.04 2.35 -1.52 -0.24 115.58 119.68 3h6x h ASN 70 Ca 0.00 0.07 -0.03 0.00 -0.55 0.00 0.00 56.30 55.79 3h6x h ASN 70 Cb 0.52 0.20 0.00 0.00 0.05 0.00 0.00 38.32 39.09 3h6x h ASN 70 CO 0.00 -0.24 -0.08 -0.65 -1.65 0.00 0.00 177.43 174.81 3h6x h PRO 71 N -0.30 0.13 0.00 0.81 0.11 -1.53 -0.30 132.00 130.93 3h6x h PRO 71 Ca 0.04 -0.09 -0.04 0.00 0.11 0.00 0.00 66.00 66.03 3h6x h PRO 71 Cb 0.35 0.01 -0.01 0.00 0.11 0.00 0.00 31.00 31.46 3h6x h PRO 71 CO -0.14 0.67 -0.24 0.07 -0.21 0.00 0.00 178.00 178.15 3h6x h ARG 72 N -0.38 0.00 0.01 1.05 0.11 -1.76 -2.36 114.38 111.04 3h6x h ARG 72 Ca 0.00 0.00 -0.39 0.00 0.10 0.00 0.00 59.98 59.70 3h6x h ARG 72 Cb 0.66 0.00 -0.07 0.00 1.11 0.00 0.00 29.97 31.67 3h6x h ARG 72 CO 0.02 0.16 -2.43 1.63 0.10 0.00 0.00 179.97 179.44 3h6x n LYS 73 N -3.11 0.66 -0.00 0.08 4.76 -0.11 -4.69 118.16 115.75 3h6x n LYS 73 Ca 0.03 0.15 0.06 0.00 -2.87 0.00 0.00 58.31 55.68 3h6x n LYS 73 Cb 0.60 -1.54 -0.09 0.00 -1.84 0.00 0.00 35.03 32.17 3h6x n LYS 73 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 3h6x n LYS 74 N -3.23 1.75 -1.21 1.97 5.02 -0.28 -4.99 118.16 117.19 3h6x n LYS 74 Ca -0.44 -0.05 -0.04 0.00 -2.02 0.00 0.00 58.31 55.77 3h6x n LYS 74 Cb 1.01 -1.20 -0.01 0.00 -0.02 0.00 0.00 35.03 34.80 3h6x n LYS 74 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3h6x n GLY 75 N 1.48 0.62 3.44 0.72 0.00 -0.32 -4.96 105.19 106.17 3h6x n GLY 75 Ca 0.00 -0.89 -0.31 0.00 0.00 0.00 0.00 46.02 44.83 3h6x n GLY 75 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3h6x s LEU 76 N -0.85 2.54 0.06 0.99 1.43 -0.89 -4.02 118.68 117.94 3h6x s LEU 76 Ca 0.00 -0.46 0.04 0.00 -1.03 0.00 0.00 54.13 52.67 3h6x s LEU 76 Cb 0.00 -1.48 -0.03 0.00 0.03 0.00 0.00 46.19 44.72 3h6x s LEU 76 CO 0.00 0.25 -0.11 0.68 0.23 0.00 0.00 176.35 177.40 3h6x s VAL 77 N -0.92 0.88 -0.51 -1.59 -7.23 -0.76 -1.94 120.40 108.33 3h6x s VAL 77 Ca 0.14 -1.23 -0.28 0.00 -1.81 0.00 0.00 61.98 58.80 3h6x s VAL 77 Cb -0.10 -0.90 0.01 0.00 0.56 0.00 0.00 36.38 35.95 3h6x s VAL 77 CO 0.05 -0.30 1.44 -0.22 -0.31 0.00 0.00 175.10 175.76 3h6x s LEU 78 N -1.71 3.46 0.36 1.32 2.96 -1.26 -0.77 118.68 123.05 3h6x s LEU 78 Ca -0.05 0.48 0.17 0.00 -0.22 0.00 0.00 54.13 54.52 3h6x s LEU 78 Cb -0.10 -3.20 0.66 0.00 0.50 0.00 0.00 46.19 44.05 3h6x s LEU 78 CO 0.01 -1.65 1.73 -0.29 -1.32 0.00 0.00 176.35 174.84 3h6x h ILE 79 N 6.44 0.97 -0.44 6.68 6.09 -1.41 -0.37 117.51 135.46 3h6x h ILE 79 Ca -0.27 -1.56 0.00 0.00 -1.37 0.00 0.00 64.86 61.66 3h6x h ILE 79 Cb 1.10 1.93 0.00 0.00 0.47 0.00 0.00 36.82 40.32 3h6x h ILE 79 CO 1.15 0.39 0.00 -0.46 -3.07 0.00 0.00 178.15 176.16 3h6x n ASN 80 N -3.60 2.48 0.00 2.19 2.04 -1.26 -4.97 115.26 112.14 3h6x n ASN 80 Ca -0.00 -2.04 0.00 0.00 -0.44 0.00 0.00 54.58 52.09 3h6x n ASN 80 Cb 0.51 -0.32 0.00 0.00 -2.53 0.00 0.00 39.78 37.44 3h6x n ASN 80 CO 0.00 0.00 0.00 -1.20 -0.44 0.00 0.00 177.26 175.62 3h6x n SER 81 N 0.77 0.00 -3.73 0.53 7.64 -0.15 -4.68 113.62 114.00 3h6x n SER 81 Ca 0.15 0.00 -0.16 0.00 1.01 0.00 0.00 58.87 59.87 3h6x n SER 81 Cb 0.41 0.00 -0.16 0.00 -1.01 0.00 0.00 64.21 63.45 3h6x n SER 81 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3h6x s VAL 82 N 0.00 -0.10 -0.03 0.44 1.01 -1.26 -4.42 120.40 116.04 3h6x s VAL 82 Ca 0.00 0.26 -0.24 0.00 0.00 0.00 0.00 61.98 62.00 3h6x s VAL 82 Cb 0.00 -0.18 -0.04 0.00 0.00 0.00 0.00 36.38 36.16 3h6x s VAL 82 CO 0.00 0.11 0.74 -0.83 0.00 0.00 0.00 175.10 175.12 3h6x s GLY 83 N 1.47 2.69 -0.38 4.51 0.00 -0.14 -4.88 107.32 110.59 3h6x s GLY 83 Ca -0.05 0.21 -0.04 0.00 0.00 0.00 0.00 44.72 44.84 3h6x s GLY 83 CO -0.04 1.19 0.16 0.14 0.00 0.00 0.00 173.10 174.55 3h6x s VAL 84 N 0.58 3.41 -0.41 1.40 1.01 -1.26 -0.11 120.40 125.01 3h6x s VAL 84 Ca 0.39 -1.76 -0.14 0.00 0.00 0.00 0.00 61.98 60.47 3h6x s VAL 84 Cb -0.19 -3.19 0.03 0.00 0.00 0.00 0.00 36.38 33.03 3h6x s VAL 84 CO 0.20 -0.51 0.29 -0.63 0.00 0.00 0.00 175.10 174.45 3h6x s ILE 85 N 1.23 5.13 0.54 2.22 -1.09 0.09 -5.01 121.20 124.30 3h6x s ILE 85 Ca 0.04 -0.74 -0.16 0.00 -2.23 0.00 0.00 60.65 57.56 3h6x s ILE 85 Cb -0.22 -3.88 -0.07 0.00 -1.58 0.00 0.00 42.46 36.71 3h6x s ILE 85 CO -0.02 -0.32 1.00 -1.81 -1.23 0.00 0.00 174.94 172.55 3h6x s ASP 86 N 1.74 6.47 0.53 3.58 1.01 -1.26 -2.12 116.67 126.62 3h6x s ASP 86 Ca 0.04 1.59 0.27 0.00 0.71 0.00 0.00 52.55 55.17 3h6x s ASP 86 Cb -0.20 -2.51 1.46 0.00 1.01 0.00 0.00 42.92 42.69 3h6x s ASP 86 CO 0.09 -0.69 2.08 1.23 0.21 0.00 0.00 175.17 178.09 3h6x h GLY 87 N 0.74 0.00 -1.45 0.21 0.00 -1.92 -1.95 103.07 98.70 3h6x h GLY 87 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.86 3h6x h GLY 87 CO 0.61 0.00 0.00 2.09 0.00 0.00 0.00 176.54 179.24 3h6x n ASP 88 N -3.65 2.38 -0.01 0.19 5.68 -1.26 -3.91 116.55 115.98 3h6x n ASP 88 Ca -0.02 -1.85 -0.13 0.00 -0.50 0.00 0.00 54.79 52.29 3h6x n ASP 88 Cb 0.23 -0.19 -0.01 0.00 -1.14 0.00 0.00 41.12 40.02 3h6x n ASP 88 CO 0.00 0.00 0.00 0.22 -1.33 0.00 0.00 177.20 176.09 3h6x h TYR 89 N 3.01 0.86 -1.52 2.11 3.20 -1.70 -3.42 116.97 119.52 3h6x h TYR 89 Ca 0.00 -0.35 -0.72 0.00 3.14 0.00 0.00 58.73 60.80 3h6x h TYR 89 Cb 0.67 -0.14 0.04 0.00 1.54 0.00 0.00 36.73 38.83 3h6x h TYR 89 CO 0.19 1.13 0.55 0.98 -1.64 0.00 0.00 178.16 179.37 3h6x n TYR 90 N -3.93 1.57 -1.74 -3.82 9.36 -1.25 -1.90 117.16 115.45 3h6x n TYR 90 Ca -0.05 0.69 -0.19 0.00 3.32 0.00 0.00 57.90 61.67 3h6x n TYR 90 Cb 0.68 -2.33 -0.06 0.00 -0.63 0.00 0.00 39.34 36.99 3h6x n TYR 90 CO 0.00 0.00 0.00 0.09 0.22 0.00 0.00 176.86 177.17 3h6x n ASN 91 N 3.30 -5.30 -4.73 2.98 3.02 -0.20 -4.82 115.26 109.51 3h6x n ASN 91 Ca 0.22 0.35 -0.34 0.00 -0.03 0.00 0.00 54.58 54.77 3h6x n ASN 91 Cb 0.14 -4.43 0.09 0.00 -0.61 0.00 0.00 39.78 34.97 3h6x n ASN 91 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3h6x s ASN 92 N -2.65 4.28 0.13 6.41 4.22 -0.80 -4.76 114.94 121.77 3h6x s ASN 92 Ca 0.00 2.35 0.20 0.00 -2.14 0.00 0.00 52.86 53.27 3h6x s ASN 92 Cb 0.00 -2.59 0.83 0.00 1.28 0.00 0.00 41.25 40.77 3h6x s ASN 92 CO 0.00 -2.20 1.62 -2.65 -2.04 0.00 0.00 177.10 171.83 3h6x n PRO 93 N -2.65 0.10 -0.04 3.55 -0.02 -1.26 -1.36 135.00 133.33 3h6x n PRO 93 Ca 0.13 0.31 -0.21 0.00 -2.02 0.00 0.00 63.50 61.71 3h6x n PRO 93 Cb 0.50 -1.68 -0.13 0.00 -0.02 0.00 0.00 33.50 32.17 3h6x n PRO 93 CO 0.00 0.00 0.00 -0.91 1.98 0.00 0.00 175.50 176.57 3h6x h ASN 94 N 0.00 0.21 0.00 2.55 2.35 -1.97 -3.43 115.58 115.29 3h6x h ASN 94 Ca 0.00 -0.75 0.00 0.00 -0.55 0.00 0.00 56.30 55.00 3h6x h ASN 94 Cb 0.35 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 38.65 3h6x h ASN 94 CO 0.00 1.55 -0.26 -0.46 -1.65 0.00 0.00 177.43 176.61 3h6x n ASN 95 N -4.11 0.00 0.00 5.81 0.23 -1.24 -5.00 115.26 110.95 3h6x n ASN 95 Ca -0.27 -1.52 0.00 0.00 -0.53 0.00 0.00 54.58 52.26 3h6x n ASN 95 Cb 0.80 -0.10 0.00 0.00 -2.08 0.00 0.00 39.78 38.40 3h6x n ASN 95 CO 0.00 0.00 0.00 1.21 -0.93 0.00 0.00 177.26 177.54 3h6x n GLU 96 N 0.00 -0.65 -0.71 -3.83 2.13 -0.46 -1.92 120.64 115.19 3h6x n GLU 96 Ca 0.00 0.16 0.00 0.00 0.66 0.00 0.00 57.16 57.98 3h6x n GLU 96 Cb 0.60 -3.78 0.00 0.00 0.27 0.00 0.00 31.44 28.53 3h6x n GLU 96 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3h6x n GLY 97 N -1.39 0.57 3.68 8.31 0.00 -1.21 -1.03 105.19 114.11 3h6x n GLY 97 Ca 0.00 -0.67 -0.46 0.00 0.00 0.00 0.00 46.02 44.88 3h6x n GLY 97 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3h6x n HIS 98 N -2.71 2.39 -2.95 1.61 -0.00 -0.81 -4.33 115.22 108.41 3h6x n HIS 98 Ca 0.00 -0.04 -0.41 0.00 0.46 0.00 0.00 57.72 57.74 3h6x n HIS 98 Cb 0.00 -2.68 -0.04 0.00 -0.12 0.00 0.00 29.99 27.15 3h6x n HIS 98 CO 0.00 0.00 0.00 0.42 0.46 0.00 0.00 176.34 177.22 3h6x s ILE 99 N 3.40 4.95 0.05 3.57 1.01 -0.33 -5.01 121.20 128.84 3h6x s ILE 99 Ca 0.88 1.56 0.06 0.00 0.00 0.00 0.00 60.65 63.15 3h6x s ILE 99 Cb -0.62 -4.10 -0.04 0.00 0.01 0.00 0.00 42.46 37.71 3h6x s ILE 99 CO 0.46 0.12 -0.12 -0.36 0.00 0.00 0.00 174.94 175.03 3h6x s PHE 100 N 1.60 2.71 -0.26 3.97 0.40 -1.26 -2.50 117.98 122.64 3h6x s PHE 100 Ca 0.38 -0.16 -0.09 0.00 -0.60 0.00 0.00 56.93 56.46 3h6x s PHE 100 Cb -0.17 -1.49 -0.04 0.00 0.51 0.00 0.00 43.02 41.83 3h6x s PHE 100 CO 0.15 0.35 0.12 0.00 0.70 0.00 0.00 175.22 176.54 3h6x s ALA 101 N -1.05 3.31 0.34 5.36 0.00 -0.25 -4.87 121.76 124.60 3h6x s ALA 101 Ca 0.18 -1.11 -0.17 0.00 0.00 0.00 0.00 51.96 50.85 3h6x s ALA 101 Cb -0.11 -2.25 -0.09 0.00 0.00 0.00 0.00 23.12 20.67 3h6x s ALA 101 CO 0.09 -0.52 0.79 -1.14 0.00 0.00 0.00 175.76 174.98 3h6x s GLN 102 N 1.68 4.09 -0.28 0.00 0.74 -1.26 -0.52 119.66 124.10 3h6x s GLN 102 Ca 0.07 0.80 -0.21 0.00 0.05 0.00 0.00 55.36 56.07 3h6x s GLN 102 Cb -0.15 -2.41 0.10 0.00 1.10 0.00 0.00 33.01 31.64 3h6x s GLN 102 CO 0.07 0.13 0.83 0.21 -0.55 0.00 0.00 175.29 175.98 3h6x s LYS 104 N -2.94 0.64 0.70 1.67 2.20 0.05 -0.93 119.74 121.13 3h6x s LYS 104 Ca 0.55 0.90 -0.02 0.00 -0.36 0.00 0.00 55.97 57.05 3h6x s LYS 104 Cb -0.11 0.24 0.11 0.00 -1.51 0.00 0.00 37.83 36.56 3h6x s LYS 104 CO 0.17 -0.10 0.97 1.21 -0.36 0.00 0.00 175.35 177.24 3h6x s ASN 105 N 0.84 4.50 0.00 1.43 3.84 -0.63 -1.83 114.94 123.09 3h6x s ASN 105 Ca -0.03 -0.19 0.00 0.00 0.21 0.00 0.00 52.86 52.85 3h6x s ASN 105 Cb -0.05 -0.30 0.00 0.00 -0.55 0.00 0.00 41.25 40.36 3h6x s ASN 105 CO -0.09 -1.75 0.00 0.35 -2.79 0.00 0.00 177.10 172.82 3h6x n THR 107 N -2.80 0.00 -0.43 -5.21 -2.24 -1.26 -0.99 114.28 101.36 3h6x n THR 107 Ca 0.13 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 62.01 3h6x n THR 107 Cb 0.60 0.00 0.31 0.00 -2.10 0.00 0.00 70.33 69.15 3h6x n THR 107 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3h6x n ASP 108 N -3.77 4.08 -4.21 3.42 5.68 -1.26 -3.18 116.55 117.30 3h6x n ASP 108 Ca 0.00 -2.14 -0.23 0.00 -0.50 0.00 0.00 54.79 51.93 3h6x n ASP 108 Cb 0.42 -0.49 -0.13 0.00 -1.14 0.00 0.00 41.12 39.78 3h6x n ASP 108 CO 0.00 0.00 0.00 -1.10 -1.33 0.00 0.00 177.20 174.77 3h6x s GLN 109 N -1.26 1.11 0.28 0.11 -1.52 -1.26 -4.81 119.66 112.31 3h6x s GLN 109 Ca 0.47 -0.94 -0.30 0.00 -1.95 0.00 0.00 55.36 52.64 3h6x s GLN 109 Cb 0.26 -1.21 -0.12 0.00 -0.22 0.00 0.00 33.01 31.72 3h6x s GLN 109 CO 0.29 0.30 1.52 2.41 -0.25 0.00 0.00 175.29 179.56 3h6x n THR 110 N 1.62 1.04 -4.56 -0.19 -1.04 -1.26 -4.30 114.28 105.59 3h6x n THR 110 Ca -0.18 -0.26 -0.34 0.00 -2.04 0.00 0.00 64.05 61.23 3h6x n THR 110 Cb 0.54 -1.79 -0.12 0.00 -1.82 0.00 0.00 70.33 67.14 3h6x n THR 110 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 3h6x s VAL 111 N -0.07 3.71 -0.18 12.58 1.01 -0.37 -4.97 120.40 132.12 3h6x s VAL 111 Ca 0.65 -0.45 -0.03 0.00 0.00 0.00 0.00 61.98 62.15 3h6x s VAL 111 Cb -0.55 -2.56 -0.02 0.00 0.00 0.00 0.00 36.38 33.25 3h6x s VAL 111 CO 0.50 0.55 -0.07 -0.69 0.00 0.00 0.00 175.10 175.39 3h6x s VAL 112 N -0.28 3.42 -0.27 2.92 1.01 -1.26 -0.41 120.40 125.53 3h6x s VAL 112 Ca 0.04 -0.50 -0.13 0.00 0.00 0.00 0.00 61.98 61.38 3h6x s VAL 112 Cb -0.13 -2.51 -0.04 0.00 0.00 0.00 0.00 36.38 33.70 3h6x s VAL 112 CO 0.02 0.47 0.30 -0.76 0.00 0.00 0.00 175.10 175.14 3h6x s LEU 113 N 0.87 4.03 0.44 3.92 1.43 0.23 -4.98 118.68 124.62 3h6x s LEU 113 Ca -0.02 0.18 -0.21 0.00 -1.03 0.00 0.00 54.13 53.05 3h6x s LEU 113 Cb -0.15 -2.31 -0.11 0.00 0.03 0.00 0.00 46.19 43.66 3h6x s LEU 113 CO 0.01 -0.13 0.96 -1.61 0.23 0.00 0.00 176.35 175.81 3h6x s GLU 114 N 1.92 4.19 0.23 1.70 0.41 -1.26 -0.70 118.70 125.19 3h6x s GLU 114 Ca 0.12 1.14 -0.31 0.00 -0.41 0.00 0.00 54.97 55.51 3h6x s GLU 114 Cb -0.16 -2.17 -0.14 0.00 -1.78 0.00 0.00 34.13 29.88 3h6x s GLU 114 CO 0.10 -0.07 1.35 0.00 -0.49 0.00 0.00 175.26 176.15 3h6x n ALA 115 N -0.67 0.73 0.00 5.21 0.00 -1.26 -2.11 120.51 122.41 3h6x n ALA 115 Ca 0.07 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.93 3h6x n ALA 115 Cb 0.54 -2.22 0.00 0.00 0.00 0.00 0.00 19.45 17.77 3h6x n ALA 115 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h6x n GLY 116 N 2.04 1.61 3.76 0.00 0.00 0.52 -4.96 105.19 108.15 3h6x n GLY 116 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 3h6x n GLY 116 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3h6x s GLU 117 N -0.69 4.49 0.22 1.61 2.02 -0.90 -4.64 118.70 120.81 3h6x s GLU 117 Ca 0.00 1.99 -0.30 0.00 0.02 0.00 0.00 54.97 56.68 3h6x s GLU 117 Cb 0.00 -3.16 -0.09 0.00 0.10 0.00 0.00 34.13 30.99 3h6x s GLU 117 CO 0.00 -0.03 1.12 1.03 0.02 0.00 0.00 175.26 177.40 3h6x s ARG 118 N -1.17 4.59 0.00 1.61 0.52 -1.26 -0.53 118.95 122.71 3h6x s ARG 118 Ca 0.49 1.79 0.00 0.00 -0.52 0.00 0.00 55.73 57.49 3h6x s ARG 118 Cb -0.35 -3.23 0.00 0.00 0.52 0.00 0.00 34.95 31.89 3h6x s ARG 118 CO 0.44 0.09 0.00 1.55 0.02 0.00 0.00 175.30 177.40 3h6x n VAL 119 N 1.92 0.00 -4.10 3.52 3.14 -0.07 -4.90 118.33 117.84 3h6x n VAL 119 Ca 0.02 0.00 -0.09 0.00 -2.96 0.00 0.00 64.34 61.30 3h6x n VAL 119 Cb 0.45 -0.36 -0.09 0.00 -1.06 0.00 0.00 33.84 32.78 3h6x n VAL 119 CO 0.00 0.00 0.00 0.68 -6.46 0.00 0.00 176.83 171.05 3h6x s VAL 120 N -1.68 0.11 -0.07 1.55 -7.23 -1.22 -3.93 120.40 107.94 3h6x s VAL 120 Ca 0.00 -1.78 0.03 0.00 -1.81 0.00 0.00 61.98 58.42 3h6x s VAL 120 Cb 0.00 -1.90 -0.02 0.00 0.56 0.00 0.00 36.38 35.01 3h6x s VAL 120 CO 0.00 -0.52 -0.14 0.00 -0.31 0.00 0.00 175.10 174.13 3h6x s GLN 121 N -4.01 2.76 -0.12 4.82 -2.07 0.09 -1.07 119.66 120.05 3h6x s GLN 121 Ca 0.20 -0.70 -0.03 0.00 -1.82 0.00 0.00 55.36 53.02 3h6x s GLN 121 Cb 0.07 -2.45 -0.03 0.00 -1.09 0.00 0.00 33.01 29.51 3h6x s GLN 121 CO -0.01 0.50 -0.03 0.20 -1.32 0.00 0.00 175.29 174.63 3h6x s GLY 122 N -0.41 1.75 -0.09 2.60 0.00 0.82 -0.43 107.32 111.55 3h6x s GLY 122 Ca 0.05 -0.83 0.03 0.00 0.00 0.00 0.00 44.72 43.97 3h6x s GLY 122 CO 0.02 -0.28 -0.18 0.14 0.00 0.00 0.00 173.10 172.80 3h6x s VAL 123 N -0.12 1.62 0.35 1.40 1.01 -0.19 -0.44 120.40 124.03 3h6x s VAL 123 Ca 0.03 -0.75 -0.04 0.00 0.00 0.00 0.00 61.98 61.22 3h6x s VAL 123 Cb -0.13 -1.44 -0.04 0.00 0.00 0.00 0.00 36.38 34.77 3h6x s VAL 123 CO 0.02 0.46 0.61 -0.36 0.00 0.00 0.00 175.10 175.84 3h6x s PHE 124 N 0.65 3.50 0.09 5.22 0.08 -1.26 -1.09 117.98 125.18 3h6x s PHE 124 Ca -0.13 0.63 0.03 0.00 0.12 0.00 0.00 56.93 57.58 3h6x s PHE 124 Cb -0.16 -2.11 -0.04 0.00 -0.57 0.00 0.00 43.02 40.14 3h6x s PHE 124 CO 0.04 0.05 0.10 -1.25 -0.10 0.00 0.00 175.22 174.05 3h6x s PRO 126 N -4.01 2.92 0.26 0.24 0.04 -1.26 -4.99 135.00 128.20 3h6x s PRO 126 Ca 0.44 -0.70 0.03 0.00 0.04 0.00 0.00 61.00 60.81 3h6x s PRO 126 Cb -0.10 -2.74 -0.05 0.00 0.04 0.00 0.00 34.50 31.65 3h6x s PRO 126 CO 0.35 0.56 0.04 -0.59 0.04 0.00 0.00 177.00 177.40 3h6x s PHE 127 N -1.44 1.64 0.12 0.56 -0.71 -0.11 -4.85 117.98 113.19 3h6x s PHE 127 Ca 0.30 -1.02 0.08 0.00 -1.04 0.00 0.00 56.93 55.25 3h6x s PHE 127 Cb -0.12 -0.99 -0.04 0.00 -1.21 0.00 0.00 43.02 40.66 3h6x s PHE 127 CO 0.23 -0.13 -0.20 -0.51 -1.34 0.00 0.00 175.22 173.27 3h6x s LEU 128 N -3.35 2.35 0.06 -1.99 1.43 -1.26 -4.79 118.68 111.13 3h6x s LEU 128 Ca 0.33 -0.75 0.01 0.00 -1.03 0.00 0.00 54.13 52.70 3h6x s LEU 128 Cb 0.07 -0.84 -0.04 0.00 0.03 0.00 0.00 46.19 45.41 3h6x s LEU 128 CO 0.12 0.02 0.13 -0.76 0.23 0.00 0.00 176.35 176.09 3h6x s LEU 129 N -2.17 4.04 0.71 1.79 1.43 -1.26 -5.11 118.68 118.11 3h6x s LEU 129 Ca 0.09 0.12 -0.11 0.00 -1.03 0.00 0.00 54.13 53.21 3h6x s LEU 129 Cb -0.08 -2.66 0.02 0.00 0.03 0.00 0.00 46.19 43.50 3h6x s LEU 129 CO 0.05 0.18 1.07 0.27 0.23 0.00 0.00 176.35 178.15 3h6x s ILE 130 N -1.42 3.90 0.18 -0.59 -4.36 -1.26 -4.97 121.20 112.67 3h6x s ILE 130 Ca 0.31 0.62 -0.33 0.00 -0.26 0.00 0.00 60.65 60.98 3h6x s ILE 130 Cb -0.12 -3.35 -0.14 0.00 1.25 0.00 0.00 42.46 40.09 3h6x s ILE 130 CO 0.24 -0.80 1.44 0.47 0.24 0.00 0.00 174.94 176.52 3h6x n ASP 131 N -3.18 2.56 0.00 4.36 8.00 -1.26 -5.37 116.55 121.66 3h6x n ASP 131 Ca 0.07 1.11 0.00 0.00 0.71 0.00 0.00 54.79 56.69 3h6x n ASP 131 Cb 0.54 -1.37 0.00 0.00 -0.02 0.00 0.00 41.12 40.27 3h6x n ASP 131 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42