#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1v9x s SER 2 N 0.00 5.97 0.15 1.61 0.01 -1.26 -5.11 113.70 115.07 1v9x s SER 2 Ca 0.00 0.01 -0.24 0.00 1.31 0.00 0.00 55.95 57.03 1v9x s SER 2 Cb 0.00 -1.69 0.08 0.00 0.21 0.00 0.00 66.02 64.62 1v9x s SER 2 CO 0.00 0.03 1.04 -0.55 0.41 0.00 0.00 173.24 174.17 1v9x s SER 3 N -3.36 -0.07 -0.42 2.44 0.15 -1.26 -5.11 113.70 106.08 1v9x s SER 3 Ca 0.33 -0.50 0.05 0.00 0.70 0.00 0.00 55.95 56.53 1v9x s SER 3 Cb -0.10 0.45 0.32 0.00 -1.71 0.00 0.00 66.02 64.98 1v9x s SER 3 CO 0.26 -0.87 1.20 0.61 1.20 0.00 0.00 173.24 175.65 1v9x n GLY 4 N -0.60 -0.13 2.74 9.45 0.00 -1.26 -5.07 105.19 110.32 1v9x n GLY 4 Ca -0.05 0.31 -0.28 0.00 0.00 0.00 0.00 46.02 46.00 1v9x n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1v9x s SER 5 N -0.93 3.72 0.23 1.61 0.01 -1.26 -5.10 113.70 111.97 1v9x s SER 5 Ca 0.22 -3.49 -0.28 0.00 1.31 0.00 0.00 55.95 53.72 1v9x s SER 5 Cb 0.29 -1.23 -0.16 0.00 0.21 0.00 0.00 66.02 65.12 1v9x s SER 5 CO -0.11 -0.13 0.58 -0.24 0.41 0.00 0.00 173.24 173.75 1v9x n SER 6 N 2.41 -0.89 -0.13 2.44 2.88 -1.26 -4.60 113.62 114.47 1v9x n SER 6 Ca 0.21 1.12 0.00 0.00 -1.33 0.00 0.00 58.87 58.87 1v9x n SER 6 Cb 0.39 -1.01 0.00 0.00 -0.75 0.00 0.00 64.21 62.84 1v9x n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1v9x n GLY 7 N 1.88 -2.82 3.09 0.46 0.00 -1.26 -5.09 105.19 101.44 1v9x n GLY 7 Ca 0.16 -0.97 -0.12 0.00 0.00 0.00 0.00 46.02 45.09 1v9x n GLY 7 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1v9x s HIS 8 N -0.63 -0.39 0.46 1.61 0.09 -1.26 -5.15 115.29 110.02 1v9x s HIS 8 Ca 0.00 0.90 -0.24 0.00 -0.00 0.00 0.00 55.06 55.72 1v9x s HIS 8 Cb 0.00 0.08 -0.07 0.00 -0.00 0.00 0.00 32.58 32.58 1v9x s HIS 8 CO 0.00 -0.27 1.27 0.15 -0.00 0.00 0.00 174.74 175.89 1v9x s LYS 9 N 1.43 3.69 0.19 1.40 1.02 -1.26 -4.94 119.74 121.27 1v9x s LYS 9 Ca -0.08 2.05 -0.05 0.00 0.02 0.00 0.00 55.97 57.91 1v9x s LYS 9 Cb -0.10 -2.51 0.12 0.00 -0.52 0.00 0.00 37.83 34.81 1v9x s LYS 9 CO -0.09 -0.69 1.54 -1.00 -0.92 0.00 0.00 175.35 174.19 1v9x h PRO 10 N 2.16 0.69 -6.57 -1.68 0.13 -1.86 -3.44 132.00 121.44 1v9x h PRO 10 Ca -0.50 -0.36 -0.66 0.00 -0.87 0.00 0.00 66.00 63.61 1v9x h PRO 10 Cb 1.26 0.01 -0.16 0.00 0.13 0.00 0.00 31.00 32.24 1v9x h PRO 10 CO 0.60 0.98 -0.75 -1.58 -0.23 0.00 0.00 178.00 177.02 1v9x s TRP 11 N -4.27 2.67 0.09 1.56 0.52 -1.18 0.58 118.94 118.90 1v9x s TRP 11 Ca -0.09 -0.19 0.08 0.00 0.02 0.00 0.00 56.10 55.92 1v9x s TRP 11 Cb 0.12 -1.38 -0.03 0.00 -1.15 0.00 0.00 33.47 31.02 1v9x s TRP 11 CO 0.85 0.44 -0.21 -0.98 0.02 0.00 0.00 176.95 177.07 1v9x s ARG 12 N -2.33 1.15 -0.07 4.98 1.70 -0.74 -0.93 118.95 122.70 1v9x s ARG 12 Ca 0.21 -1.11 0.00 0.00 -0.47 0.00 0.00 55.73 54.36 1v9x s ARG 12 Cb -0.10 -1.38 0.02 0.00 -0.57 0.00 0.00 34.95 32.92 1v9x s ARG 12 CO 0.13 0.33 -0.05 0.00 -1.08 0.00 0.00 175.30 174.63 1v9x s ALA 13 N -1.10 0.94 -0.25 7.88 0.00 0.37 -2.71 121.76 126.88 1v9x s ALA 13 Ca 0.06 -0.26 -0.28 0.00 0.00 0.00 0.00 51.96 51.49 1v9x s ALA 13 Cb -0.10 -0.66 0.16 0.00 0.00 0.00 0.00 23.12 22.53 1v9x s ALA 13 CO 0.04 -0.22 1.23 -1.83 0.00 0.00 0.00 175.76 174.98 1v9x s GLU 14 N 1.36 0.27 -0.07 0.00 -1.05 -1.26 -4.26 118.70 113.69 1v9x s GLU 14 Ca -0.03 0.14 -0.30 0.00 -0.15 0.00 0.00 54.97 54.63 1v9x s GLU 14 Cb -0.14 0.13 -0.03 0.00 -0.44 0.00 0.00 34.13 33.65 1v9x s GLU 14 CO -0.03 -0.07 1.31 0.71 0.95 0.00 0.00 175.26 178.13 1v9x s TYR 15 N -0.66 2.90 0.06 4.83 1.51 -1.26 -3.90 117.35 120.82 1v9x s TYR 15 Ca 0.05 0.97 -0.33 0.00 -1.01 0.00 0.00 57.07 56.75 1v9x s TYR 15 Cb -0.02 -3.55 -0.12 0.00 -0.11 0.00 0.00 41.96 38.16 1v9x s TYR 15 CO -0.07 -1.93 1.78 0.00 -1.11 0.00 0.00 175.55 174.23 1v9x n ALA 16 N 5.81 1.44 -0.35 3.71 0.00 -0.90 -4.73 120.51 125.49 1v9x n ALA 16 Ca 0.13 0.34 -0.08 0.00 0.00 0.00 0.00 53.44 53.83 1v9x n ALA 16 Cb 0.45 -2.49 0.17 0.00 0.00 0.00 0.00 19.45 17.58 1v9x n ALA 16 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1v9x n LYS 17 N 5.40 2.48 -3.85 0.00 5.02 -1.26 0.14 118.16 126.09 1v9x n LYS 17 Ca 0.19 -1.97 0.01 0.00 -2.02 0.00 0.00 58.31 54.52 1v9x n LYS 17 Cb 0.32 -1.85 0.01 0.00 -0.02 0.00 0.00 35.03 33.49 1v9x n LYS 17 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1v9x s SER 18 N -0.48 -0.02 -0.16 4.39 1.04 -1.26 -4.95 113.70 112.25 1v9x s SER 18 Ca 0.36 -0.30 0.16 0.00 0.48 0.00 0.00 55.95 56.64 1v9x s SER 18 Cb 0.29 0.25 0.43 0.00 0.10 0.00 0.00 66.02 67.09 1v9x s SER 18 CO 0.08 -0.49 1.20 -1.20 0.98 0.00 0.00 173.24 173.81 1v9x n SER 19 N -0.92 1.77 0.00 7.02 7.64 -1.26 -1.46 113.62 126.42 1v9x n SER 19 Ca -0.02 -3.24 -0.16 0.00 1.01 0.00 0.00 58.87 56.46 1v9x n SER 19 Cb 0.60 -0.44 -0.14 0.00 -1.01 0.00 0.00 64.21 63.22 1v9x n SER 19 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 1v9x h ARG 20 N 1.18 0.16 -7.07 1.43 2.47 -1.97 -3.43 114.38 107.14 1v9x h ARG 20 Ca -0.04 -0.27 -0.49 0.00 -1.26 0.00 0.00 59.98 57.92 1v9x h ARG 20 Cb 1.33 0.10 0.06 0.00 -1.65 0.00 0.00 29.97 29.80 1v9x h ARG 20 CO 0.10 0.91 0.42 -1.12 0.56 0.00 0.00 179.97 180.85 1v9x s SER 21 N -6.65 5.95 -0.06 7.04 0.01 -1.26 -4.94 113.70 113.79 1v9x s SER 21 Ca -0.13 2.12 0.02 0.00 1.31 0.00 0.00 55.95 59.27 1v9x s SER 21 Cb 0.07 -2.58 0.02 0.00 0.21 0.00 0.00 66.02 63.74 1v9x s SER 21 CO 0.80 -1.06 -0.10 -0.44 0.41 0.00 0.00 173.24 172.86 1v9x s SER 22 N -1.78 1.50 0.92 2.44 0.01 -1.26 -1.88 113.70 113.65 1v9x s SER 22 Ca 0.70 -0.24 -0.14 0.00 1.31 0.00 0.00 55.95 57.58 1v9x s SER 22 Cb -0.22 -0.70 0.00 0.00 0.21 0.00 0.00 66.02 65.31 1v9x s SER 22 CO 0.26 0.01 0.29 0.00 0.41 0.00 0.00 173.24 174.21 1v9x n LYS 24 N -1.08 1.99 -0.02 0.00 4.76 -0.96 -3.04 118.16 119.79 1v9x n LYS 24 Ca 0.06 -0.01 -0.13 0.00 -2.87 0.00 0.00 58.31 55.37 1v9x n LYS 24 Cb 0.53 -1.32 -0.09 0.00 -1.84 0.00 0.00 35.03 32.32 1v9x n LYS 24 CO 0.00 0.00 0.00 1.15 -1.37 0.00 0.00 177.40 177.18 1v9x h THR 25 N 0.00 1.35 0.00 -0.18 2.02 -1.93 -3.32 112.91 110.85 1v9x h THR 25 Ca -0.33 -1.11 0.00 0.00 0.77 0.00 0.00 66.41 65.74 1v9x h THR 25 Cb 1.76 2.00 0.00 0.00 -1.74 0.00 0.00 68.15 70.17 1v9x h THR 25 CO 0.02 0.30 -1.80 0.00 0.37 0.00 0.00 175.52 174.41 1v9x n LYS 27 N -2.11 -4.11 -4.66 0.00 4.76 -1.17 -5.04 118.16 105.81 1v9x n LYS 27 Ca -0.03 0.47 -0.30 0.00 -2.87 0.00 0.00 58.31 55.59 1v9x n LYS 27 Cb 0.51 -4.39 -0.09 0.00 -1.84 0.00 0.00 35.03 29.22 1v9x n LYS 27 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 1v9x s SER 28 N -3.46 3.75 0.15 4.39 0.01 -1.23 -4.85 113.70 112.45 1v9x s SER 28 Ca 0.17 -1.55 -0.21 0.00 1.31 0.00 0.00 55.95 55.67 1v9x s SER 28 Cb -0.08 0.21 -0.08 0.00 0.21 0.00 0.00 66.02 66.29 1v9x s SER 28 CO 0.41 -0.73 0.68 -0.69 0.41 0.00 0.00 173.24 173.32 1v9x s VAL 29 N -2.91 4.58 -0.75 3.43 1.01 -1.26 0.18 120.40 124.68 1v9x s VAL 29 Ca 0.19 1.36 -0.08 0.00 0.00 0.00 0.00 61.98 63.45 1v9x s VAL 29 Cb 0.05 -3.95 0.19 0.00 0.00 0.00 0.00 36.38 32.67 1v9x s VAL 29 CO 0.10 0.43 0.63 -0.63 0.00 0.00 0.00 175.10 175.62 1v9x s ILE 30 N -1.26 4.67 0.35 2.22 1.01 -0.79 -4.81 121.20 122.59 1v9x s ILE 30 Ca 0.36 -2.82 -0.27 0.00 0.00 0.00 0.00 60.65 57.91 1v9x s ILE 30 Cb -0.20 -3.94 -0.12 0.00 0.01 0.00 0.00 42.46 38.22 1v9x s ILE 30 CO 0.22 -0.97 1.27 0.59 0.00 0.00 0.00 174.94 176.05 1v9x n ASN 31 N 3.59 2.63 -4.51 3.58 3.02 -1.26 -4.21 115.26 118.10 1v9x n ASN 31 Ca 0.12 1.19 -0.31 0.00 -0.03 0.00 0.00 54.58 55.55 1v9x n ASN 31 Cb 0.42 -1.48 0.18 0.00 -0.61 0.00 0.00 39.78 38.30 1v9x n ASN 31 CO 0.00 0.00 0.00 2.29 -2.62 0.00 0.00 177.26 176.93 1v9x n LYS 32 N 0.46 -1.11 -1.67 3.52 2.85 -0.53 -3.50 118.16 118.18 1v9x n LYS 32 Ca 0.05 -0.28 -0.07 0.00 -1.05 0.00 0.00 58.31 56.96 1v9x n LYS 32 Cb 0.37 -2.13 -0.02 0.00 -0.65 0.00 0.00 35.03 32.60 1v9x n LYS 32 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 1v9x n GLU 33 N -3.64 -0.54 -4.29 -1.58 1.02 0.12 -4.92 120.64 106.80 1v9x n GLU 33 Ca 0.07 0.56 -0.22 0.00 -0.02 0.00 0.00 57.16 57.55 1v9x n GLU 33 Cb 0.54 -4.41 -0.12 0.00 -0.02 0.00 0.00 31.44 27.43 1v9x n GLU 33 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 1v9x s ASN 34 N -2.80 2.47 -0.36 1.62 0.01 -1.23 -4.93 114.94 109.72 1v9x s ASN 34 Ca 0.00 -0.76 -0.22 0.00 -0.71 0.00 0.00 52.86 51.16 1v9x s ASN 34 Cb 0.00 -0.13 0.01 0.00 0.41 0.00 0.00 41.25 41.54 1v9x s ASN 34 CO 0.00 -0.01 0.75 0.12 -1.51 0.00 0.00 177.10 176.44 1v9x s PHE 35 N -1.63 3.13 0.49 2.20 5.36 -1.26 -2.12 117.98 124.15 1v9x s PHE 35 Ca 0.10 0.52 0.02 0.00 -0.96 0.00 0.00 56.93 56.60 1v9x s PHE 35 Cb -0.08 -3.32 -0.02 0.00 -0.34 0.00 0.00 43.02 39.26 1v9x s PHE 35 CO 0.05 -0.70 0.02 -0.98 -1.46 0.00 0.00 175.22 172.15 1v9x s ARG 36 N 2.99 2.14 -0.02 10.12 1.70 -1.25 -2.96 118.95 131.67 1v9x s ARG 36 Ca 0.30 -2.35 0.02 0.00 -0.47 0.00 0.00 55.73 53.22 1v9x s ARG 36 Cb -0.14 -1.41 0.01 0.00 -0.57 0.00 0.00 34.95 32.85 1v9x s ARG 36 CO 0.16 -0.36 -0.05 -0.51 -1.08 0.00 0.00 175.30 173.46 1v9x s LEU 37 N -3.83 1.66 -0.24 -1.89 1.43 0.20 -4.16 118.68 111.85 1v9x s LEU 37 Ca 0.10 -0.12 0.02 0.00 -1.03 0.00 0.00 54.13 53.10 1v9x s LEU 37 Cb 0.02 -0.39 0.05 0.00 0.03 0.00 0.00 46.19 45.91 1v9x s LEU 37 CO 0.05 0.01 -0.12 -0.83 0.23 0.00 0.00 176.35 175.69 1v9x s GLY 38 N 0.38 1.61 -0.72 -3.19 0.00 -1.10 -0.96 107.32 103.33 1v9x s GLY 38 Ca -0.05 -1.65 -0.26 0.00 0.00 0.00 0.00 44.72 42.76 1v9x s GLY 38 CO -0.00 0.54 1.21 1.25 0.00 0.00 0.00 173.10 176.11 1v9x s LYS 39 N 1.15 3.18 -0.12 2.90 2.20 -0.89 -1.79 119.74 126.37 1v9x s LYS 39 Ca -0.06 -0.36 -0.30 0.00 -0.36 0.00 0.00 55.97 54.90 1v9x s LYS 39 Cb -0.18 -4.19 -0.02 0.00 -1.51 0.00 0.00 37.83 31.92 1v9x s LYS 39 CO -0.07 -2.08 1.28 -0.51 -0.36 0.00 0.00 175.35 173.62 1v9x s LEU 40 N 5.39 4.23 -0.23 5.43 1.43 0.20 -2.71 118.68 132.41 1v9x s LEU 40 Ca 0.32 1.79 0.02 0.00 -1.03 0.00 0.00 54.13 55.23 1v9x s LEU 40 Cb -0.10 -3.54 0.06 0.00 0.03 0.00 0.00 46.19 42.63 1v9x s LEU 40 CO 0.14 -0.72 -0.09 0.68 0.23 0.00 0.00 176.35 176.59 1v9x s VAL 41 N 3.12 1.78 0.60 -1.59 -7.23 -1.26 -4.77 120.40 111.05 1v9x s VAL 41 Ca 0.57 -1.31 -0.18 0.00 -1.81 0.00 0.00 61.98 59.25 1v9x s VAL 41 Cb -0.24 -1.94 -0.03 0.00 0.56 0.00 0.00 36.38 34.72 1v9x s VAL 41 CO 0.18 -0.00 1.18 -1.10 -0.31 0.00 0.00 175.10 175.05 1v9x s GLN 42 N 1.29 2.98 0.35 4.82 -0.21 -1.26 -4.51 119.66 123.12 1v9x s GLN 42 Ca -0.06 1.73 0.05 0.00 0.02 0.00 0.00 55.36 57.11 1v9x s GLN 42 Cb -0.19 -1.94 -0.07 0.00 1.00 0.00 0.00 33.01 31.81 1v9x s GLN 42 CO -0.06 -1.17 0.02 -1.12 -2.12 0.00 0.00 175.29 170.84 1v9x s SER 43 N -1.76 2.95 -0.13 5.90 0.01 -1.26 -5.06 113.70 114.35 1v9x s SER 43 Ca 0.75 -1.35 0.16 0.00 1.31 0.00 0.00 55.95 56.83 1v9x s SER 43 Cb -0.28 -0.21 -0.24 0.00 0.21 0.00 0.00 66.02 65.51 1v9x s SER 43 CO 0.33 -0.51 0.32 0.35 0.41 0.00 0.00 173.24 174.14 1v9x n THR 44 N -0.77 1.39 -1.95 1.44 -2.24 -1.26 -4.96 114.28 105.94 1v9x n THR 44 Ca -0.04 -0.81 -0.29 0.00 -2.27 0.00 0.00 64.05 60.64 1v9x n THR 44 Cb 0.66 -0.64 0.09 0.00 -2.10 0.00 0.00 70.33 68.34 1v9x n THR 44 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1v9x s HIS 45 N -2.59 2.87 -0.58 4.78 3.76 -1.26 -5.00 115.29 117.27 1v9x s HIS 45 Ca -0.08 0.68 -0.24 0.00 -0.15 0.00 0.00 55.06 55.28 1v9x s HIS 45 Cb 0.07 -3.49 0.05 0.00 1.11 0.00 0.00 32.58 30.32 1v9x s HIS 45 CO 0.83 -1.77 0.96 -0.59 -0.85 0.00 0.00 174.74 173.32 1v9x s PHE 46 N -3.55 2.75 -0.29 1.40 -0.71 -1.26 -4.96 117.98 111.36 1v9x s PHE 46 Ca 0.62 -0.11 -0.22 0.00 -1.04 0.00 0.00 56.93 56.18 1v9x s PHE 46 Cb -0.11 -4.14 0.16 0.00 -1.21 0.00 0.00 43.02 37.73 1v9x s PHE 46 CO 0.49 -1.44 1.19 0.34 -1.34 0.00 0.00 175.22 174.46 1v9x s ASP 47 N 3.03 -0.27 0.24 1.98 -1.08 -1.26 -5.14 116.67 114.16 1v9x s ASP 47 Ca 0.29 0.49 -0.30 0.00 -0.52 0.00 0.00 52.55 52.51 1v9x s ASP 47 Cb -0.13 0.70 -0.15 0.00 -1.46 0.00 0.00 42.92 41.88 1v9x s ASP 47 CO 0.17 -0.08 1.13 0.61 0.52 0.00 0.00 175.17 177.52 1v9x n GLY 48 N 2.39 0.02 3.53 2.66 0.00 -1.26 -4.84 105.19 107.68 1v9x n GLY 48 Ca -0.13 0.43 -0.43 0.00 0.00 0.00 0.00 46.02 45.89 1v9x n GLY 48 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1v9x n ILE 49 N 0.97 2.07 -3.67 -0.61 5.41 -1.26 -4.94 119.36 117.33 1v9x n ILE 49 Ca 0.12 -0.50 -0.38 0.00 1.00 0.00 0.00 62.75 62.99 1v9x n ILE 49 Cb 0.29 -0.80 -0.09 0.00 -0.71 0.00 0.00 39.64 38.33 1v9x n ILE 49 CO 0.00 0.00 0.00 -0.04 0.00 0.00 0.00 176.55 176.51 1v9x s MET 50 N -1.69 2.52 -0.40 0.38 -1.94 -1.26 -5.05 119.30 111.86 1v9x s MET 50 Ca 0.62 -2.27 -0.28 0.00 -1.71 0.00 0.00 55.69 52.06 1v9x s MET 50 Cb -0.63 -3.79 -0.01 0.00 2.01 0.00 0.00 34.83 32.41 1v9x s MET 50 CO 0.58 -1.17 1.73 -1.25 -0.01 0.00 0.00 175.02 174.90 1v9x s PRO 51 N 0.41 3.26 -0.68 2.03 0.04 -1.26 -4.39 135.00 134.41 1v9x s PRO 51 Ca 0.14 1.18 -0.26 0.00 0.04 0.00 0.00 61.00 62.09 1v9x s PRO 51 Cb -0.21 -4.20 -0.06 0.00 0.04 0.00 0.00 34.50 30.08 1v9x s PRO 51 CO -0.04 -1.95 2.09 -1.64 0.04 0.00 0.00 177.00 175.50 1v9x s MET 52 N 5.76 2.33 -0.06 4.56 -1.94 -1.10 -4.79 119.30 124.06 1v9x s MET 52 Ca 0.74 0.58 -0.30 0.00 -1.71 0.00 0.00 55.69 54.99 1v9x s MET 52 Cb -0.19 -4.65 -0.04 0.00 2.01 0.00 0.00 34.83 31.97 1v9x s MET 52 CO 0.31 -3.26 1.30 -1.58 -0.01 0.00 0.00 175.02 171.78 1v9x s TRP 53 N 10.89 2.94 -0.17 -0.03 0.23 -1.26 -2.09 118.94 129.45 1v9x s TRP 53 Ca 0.79 0.99 -0.11 0.00 -2.03 0.00 0.00 56.10 55.73 1v9x s TRP 53 Cb -0.12 -3.55 0.05 0.00 0.03 0.00 0.00 33.47 29.89 1v9x s TRP 53 CO 0.15 -1.91 0.42 -0.80 0.96 0.00 0.00 176.95 175.78 1v9x s ASN 54 N 1.81 -0.50 0.24 2.95 0.01 -0.14 -2.28 114.94 117.04 1v9x s ASN 54 Ca 0.59 0.89 -0.29 0.00 -0.71 0.00 0.00 52.86 53.35 1v9x s ASN 54 Cb -0.27 0.81 -0.15 0.00 0.41 0.00 0.00 41.25 42.06 1v9x s ASN 54 CO 0.22 -0.18 0.92 1.41 -1.51 0.00 0.00 177.10 177.97 1v9x n HIS 55 N 3.81 0.86 0.34 2.20 8.25 -1.26 -0.63 115.22 128.78 1v9x n HIS 55 Ca -0.20 0.77 0.19 0.00 -0.26 0.00 0.00 57.72 58.21 1v9x n HIS 55 Cb 0.56 -2.18 0.99 0.00 1.12 0.00 0.00 29.99 30.47 1v9x n HIS 55 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1v9x h ALA 56 N 2.01 1.19 0.00 -1.41 0.00 -1.79 0.32 119.26 119.58 1v9x h ALA 56 Ca -0.38 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1v9x h ALA 56 Cb 1.37 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.16 1v9x h ALA 56 CO 0.61 -0.19 -1.44 0.45 0.00 0.00 0.00 179.25 178.68 1v9x n SER 57 N -2.96 0.45 0.12 0.00 2.88 -1.26 -3.17 113.62 109.68 1v9x n SER 57 Ca -0.02 0.10 0.00 0.00 -1.33 0.00 0.00 58.87 57.62 1v9x n SER 57 Cb 0.25 1.17 0.03 0.00 -0.75 0.00 0.00 64.21 64.91 1v9x n SER 57 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1v9x n ILE 59 N -3.32 1.53 -0.21 0.00 2.08 -0.93 -4.11 119.36 114.40 1v9x n ILE 59 Ca 0.01 -0.04 0.24 0.00 0.56 0.00 0.00 62.75 63.52 1v9x n ILE 59 Cb 0.76 -2.05 0.62 0.00 -0.75 0.00 0.00 39.64 38.22 1v9x n ILE 59 CO 0.00 0.00 0.00 -0.07 0.56 0.00 0.00 176.55 177.04 1v9x h LEU 60 N -1.00 0.20 -1.57 1.39 3.38 -1.69 0.61 115.31 116.63 1v9x h LEU 60 Ca -0.36 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.59 1v9x h LEU 60 Cb 1.29 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 42.02 1v9x h LEU 60 CO -0.22 0.07 -0.21 0.07 0.09 0.00 0.00 178.44 178.25 1v9x h LYS 61 N 0.20 0.00 0.00 1.13 2.10 -1.71 -3.37 116.57 114.92 1v9x h LYS 61 Ca 0.45 0.00 -0.27 0.00 -2.00 0.00 0.00 60.65 58.83 1v9x h LYS 61 Cb 1.44 0.00 0.11 0.00 -0.90 0.00 0.00 32.23 32.87 1v9x h LYS 61 CO -0.10 0.21 0.26 1.63 -2.00 0.00 0.00 179.45 179.45 1v9x n LYS 62 N -3.73 -0.77 -4.36 0.07 5.02 0.21 -4.56 118.16 110.05 1v9x n LYS 62 Ca -0.01 -1.31 -0.19 0.00 -2.02 0.00 0.00 58.31 54.78 1v9x n LYS 62 Cb 0.32 -0.84 -0.10 0.00 -0.02 0.00 0.00 35.03 34.39 1v9x n LYS 62 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1v9x s THR 63 N -2.78 1.80 -1.33 -0.18 2.01 -1.26 -3.93 115.64 109.97 1v9x s THR 63 Ca 0.47 -2.23 -0.06 0.00 0.31 0.00 0.00 61.69 60.18 1v9x s THR 63 Cb -0.01 -2.07 -0.00 0.00 0.01 0.00 0.00 72.50 70.43 1v9x s THR 63 CO 0.33 -0.58 0.53 0.29 -0.69 0.00 0.00 174.62 174.50 1v9x n LYS 64 N -0.40 -2.85 -0.03 4.92 5.02 -1.26 -4.90 118.16 118.65 1v9x n LYS 64 Ca -0.08 0.42 -0.08 0.00 -2.02 0.00 0.00 58.31 56.55 1v9x n LYS 64 Cb 0.60 -4.43 -0.03 0.00 -0.02 0.00 0.00 35.03 31.16 1v9x n LYS 64 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1v9x n GLN 65 N -4.36 0.20 -5.08 1.97 1.13 -1.26 -5.03 117.38 104.94 1v9x n GLN 65 Ca -0.26 0.09 -0.32 0.00 -1.94 0.00 0.00 57.00 54.57 1v9x n GLN 65 Cb 0.66 -0.84 -0.15 0.00 0.11 0.00 0.00 30.24 30.02 1v9x n GLN 65 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1v9x s ILE 66 N -2.22 2.50 -0.13 5.09 1.01 -1.26 -5.03 121.20 121.16 1v9x s ILE 66 Ca -0.13 -0.90 -0.25 0.00 0.00 0.00 0.00 60.65 59.37 1v9x s ILE 66 Cb 0.04 -1.96 -0.26 0.00 0.01 0.00 0.00 42.46 40.30 1v9x s ILE 66 CO 0.16 0.57 0.66 0.50 0.00 0.00 0.00 174.94 176.84 1v9x h LYS 67 N 5.98 0.09 -2.84 2.79 3.11 -1.96 -3.44 116.57 120.30 1v9x h LYS 67 Ca -0.35 -0.15 -0.03 0.00 -2.81 0.00 0.00 60.65 57.31 1v9x h LYS 67 Cb 1.17 0.06 -0.14 0.00 -1.00 0.00 0.00 32.23 32.32 1v9x h LYS 67 CO 0.49 1.07 0.17 0.45 -2.81 0.00 0.00 179.45 178.83 1v9x s SER 68 N -6.58 -0.55 0.59 4.20 0.15 -1.26 -4.81 113.70 105.44 1v9x s SER 68 Ca -0.20 0.11 0.29 0.00 0.70 0.00 0.00 55.95 56.85 1v9x s SER 68 Cb 0.00 0.57 1.63 0.00 -1.71 0.00 0.00 66.02 66.51 1v9x s SER 68 CO 0.71 -0.88 2.06 -0.37 1.20 0.00 0.00 173.24 175.96 1v9x h VAL 69 N 2.26 0.44 0.00 4.45 -1.51 -1.94 0.11 116.25 120.06 1v9x h VAL 69 Ca -0.33 0.00 -0.06 0.00 -1.23 0.00 0.00 66.70 65.09 1v9x h VAL 69 Cb 1.27 0.79 -0.01 0.00 -2.13 0.00 0.00 31.29 31.22 1v9x h VAL 69 CO 0.39 0.00 -0.27 0.44 -1.23 0.00 0.00 177.57 176.90 1v9x h ASP 70 N 0.00 0.00 1.18 4.19 5.19 -2.01 -1.86 116.42 123.12 1v9x h ASP 70 Ca 0.11 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.51 1v9x h ASP 70 Cb 0.62 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.13 1v9x h ASP 70 CO -0.00 0.27 -0.02 0.44 -3.12 0.00 0.00 179.24 176.81 1v9x h ASP 71 N 0.00 0.00 -3.36 6.45 5.19 -1.17 -3.43 116.42 120.10 1v9x h ASP 71 Ca -0.00 0.00 -0.56 0.00 -0.62 0.00 0.00 57.03 55.84 1v9x h ASP 71 Cb 0.49 0.00 -0.06 0.00 0.18 0.00 0.00 39.33 39.94 1v9x h ASP 71 CO 0.04 0.02 0.14 -0.69 -3.12 0.00 0.00 179.24 175.62 1v9x s VAL 72 N -3.59 5.02 0.05 -1.35 1.01 -0.70 -3.13 120.40 117.71 1v9x s VAL 72 Ca 0.02 1.48 -0.11 0.00 0.00 0.00 0.00 61.98 63.38 1v9x s VAL 72 Cb 0.08 -4.06 -0.06 0.00 0.00 0.00 0.00 36.38 32.35 1v9x s VAL 72 CO 0.57 0.21 0.39 -0.70 0.00 0.00 0.00 175.10 175.57 1v9x s GLU 73 N 1.02 3.77 0.00 2.72 2.56 -0.11 -4.06 118.70 124.60 1v9x s GLU 73 Ca 0.38 0.20 0.00 0.00 0.00 0.00 0.00 54.97 55.55 1v9x s GLU 73 Cb -0.18 -3.06 0.00 0.00 2.00 0.00 0.00 34.13 32.90 1v9x s GLU 73 CO 0.18 0.60 0.00 0.41 -0.56 0.00 0.00 175.26 175.89 1v9x n GLY 74 N 1.15 0.24 0.32 -1.50 0.00 -1.26 0.14 105.19 104.28 1v9x n GLY 74 Ca -0.10 0.00 0.20 0.00 0.00 0.00 0.00 46.02 46.12 1v9x n GLY 74 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1v9x h ILE 75 N 0.00 0.19 0.00 -0.61 2.10 -1.75 0.54 117.51 117.99 1v9x h ILE 75 Ca 0.00 -0.09 0.00 0.00 1.08 0.00 0.00 64.86 65.85 1v9x h ILE 75 Cb 0.50 1.07 0.00 0.00 -1.09 0.00 0.00 36.82 37.30 1v9x h ILE 75 CO 0.00 0.01 0.00 -1.84 -1.08 0.00 0.00 178.15 175.24 1v9x n GLU 76 N -3.34 0.16 0.07 2.19 0.28 -1.26 -2.84 120.64 115.90 1v9x n GLU 76 Ca -0.03 0.20 0.12 0.00 -0.16 0.00 0.00 57.16 57.29 1v9x n GLU 76 Cb 0.11 -1.72 0.09 0.00 1.43 0.00 0.00 31.44 31.35 1v9x n GLU 76 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 1v9x n SER 77 N -2.01 0.73 -4.80 -1.84 2.88 0.18 -4.92 113.62 103.84 1v9x n SER 77 Ca 0.05 0.12 -0.31 0.00 -1.33 0.00 0.00 58.87 57.41 1v9x n SER 77 Cb 0.35 0.37 0.07 0.00 -0.75 0.00 0.00 64.21 64.25 1v9x n SER 77 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1v9x s LEU 78 N -4.52 3.06 0.50 2.46 1.43 -1.13 -4.98 118.68 115.50 1v9x s LEU 78 Ca 0.04 1.67 -0.22 0.00 -1.03 0.00 0.00 54.13 54.59 1v9x s LEU 78 Cb 0.12 -4.47 -0.06 0.00 0.03 0.00 0.00 46.19 41.81 1v9x s LEU 78 CO 0.76 -1.69 1.18 -0.13 0.23 0.00 0.00 176.35 176.70 1v9x s ARG 79 N -5.00 3.54 0.16 1.70 1.81 -1.26 -4.64 118.95 115.26 1v9x s ARG 79 Ca 0.59 1.79 -0.29 0.00 -1.72 0.00 0.00 55.73 56.10 1v9x s ARG 79 Cb -0.15 -2.26 -0.06 0.00 -0.45 0.00 0.00 34.95 32.03 1v9x s ARG 79 CO 0.55 -0.74 1.49 1.87 -0.68 0.00 0.00 175.30 177.80 1v9x n TRP 80 N -0.82 -0.41 -0.34 -0.53 -0.00 -1.26 0.96 117.44 115.05 1v9x n TRP 80 Ca 0.09 1.21 0.15 0.00 -0.00 0.00 0.00 57.50 58.95 1v9x n TRP 80 Cb 0.48 -0.59 0.34 0.00 -0.00 0.00 0.00 31.31 31.55 1v9x n TRP 80 CO 0.00 0.00 0.00 1.05 -0.00 0.00 0.00 177.69 178.74 1v9x h GLU 81 N 0.00 0.59 0.27 5.87 4.11 -2.00 -0.72 114.58 122.71 1v9x h GLU 81 Ca 0.16 -0.04 -0.01 0.00 0.07 0.00 0.00 59.36 59.54 1v9x h GLU 81 Cb 0.40 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.52 1v9x h GLU 81 CO -0.91 0.39 -0.13 -0.44 0.07 0.00 0.00 179.01 177.99 1v9x h ASP 82 N 0.61 -0.30 -0.89 3.06 5.19 0.26 -2.78 116.42 121.57 1v9x h ASP 82 Ca 0.60 -0.19 0.22 0.00 -0.62 0.00 0.00 57.03 57.04 1v9x h ASP 82 Cb 1.06 0.08 -0.06 0.00 0.18 0.00 0.00 39.33 40.59 1v9x h ASP 82 CO -0.45 0.05 0.60 1.56 -3.12 0.00 0.00 179.24 177.88 1v9x h GLN 83 N -0.69 0.26 -0.40 3.56 4.20 0.37 0.17 115.11 122.58 1v9x h GLN 83 Ca -0.04 -0.02 -0.12 0.00 0.06 0.00 0.00 58.65 58.53 1v9x h GLN 83 Cb 0.48 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.18 1v9x h GLN 83 CO 0.06 0.17 -0.25 1.96 -0.67 0.00 0.00 178.83 180.10 1v9x h GLN 84 N 0.26 0.81 -0.25 1.46 1.08 -1.02 -2.72 115.11 114.74 1v9x h GLN 84 Ca 0.45 -0.35 0.07 0.00 -1.45 0.00 0.00 58.65 57.38 1v9x h GLN 84 Cb 1.33 -0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 28.73 1v9x h GLN 84 CO -0.12 0.97 0.20 0.87 -0.95 0.00 0.00 178.83 179.80 1v9x h LYS 85 N 0.70 0.00 0.02 1.46 1.57 -0.38 0.39 116.57 120.32 1v9x h LYS 85 Ca 0.09 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.87 1v9x h LYS 85 Cb 0.78 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.09 1v9x h LYS 85 CO 0.06 0.00 -0.01 0.82 -0.57 0.00 0.00 179.45 179.76 1v9x h ILE 86 N 0.00 0.00 -0.99 1.86 1.08 -1.41 -3.14 117.51 114.91 1v9x h ILE 86 Ca 0.12 -0.32 0.13 0.00 -0.39 0.00 0.00 64.86 64.40 1v9x h ILE 86 Cb 0.52 0.00 -0.09 0.00 -3.07 0.00 0.00 36.82 34.18 1v9x h ILE 86 CO -0.00 0.00 0.62 0.08 -0.69 0.00 0.00 178.15 178.16 1v9x h ARG 87 N -0.34 0.91 0.00 2.37 0.11 -1.44 0.60 114.38 116.60 1v9x h ARG 87 Ca -0.00 -0.05 0.00 0.00 0.10 0.00 0.00 59.98 60.02 1v9x h ARG 87 Cb 0.02 -0.21 0.00 0.00 1.11 0.00 0.00 29.97 30.89 1v9x h ARG 87 CO 0.00 0.60 0.00 1.63 0.10 0.00 0.00 179.97 182.31 1v9x n LYS 88 N -4.66 0.68 -0.03 0.08 4.76 0.14 -1.72 118.16 117.41 1v9x n LYS 88 Ca 0.19 0.00 -0.04 0.00 -2.87 0.00 0.00 58.31 55.59 1v9x n LYS 88 Cb 0.39 -1.36 -0.03 0.00 -1.84 0.00 0.00 35.03 32.19 1v9x n LYS 88 CO 0.00 0.00 0.00 0.98 -1.37 0.00 0.00 177.40 177.01 1v9x n TYR 89 N -0.86 0.00 0.08 2.13 9.36 0.18 -4.24 117.16 123.81 1v9x n TYR 89 Ca 0.12 0.00 -0.09 0.00 3.32 0.00 0.00 57.90 61.25 1v9x n TYR 89 Cb 0.05 -0.24 0.00 0.00 -0.63 0.00 0.00 39.34 38.52 1v9x n TYR 89 CO 0.00 0.00 0.00 -0.39 0.22 0.00 0.00 176.86 176.69 1v9x h VAL 90 N -0.01 1.46 0.00 2.97 -1.51 -0.72 -3.33 116.25 115.11 1v9x h VAL 90 Ca -0.14 -2.48 -0.00 0.00 -1.23 0.00 0.00 66.70 62.85 1v9x h VAL 90 Cb 1.22 2.38 0.00 0.00 -2.13 0.00 0.00 31.29 32.76 1v9x h VAL 90 CO -0.02 0.73 -0.00 -0.33 -1.23 0.00 0.00 177.57 176.71 1v9x h GLU 91 N 0.15 -0.00 -7.21 5.19 4.39 -1.57 -3.46 114.58 112.08 1v9x h GLU 91 Ca -0.05 0.00 -0.48 0.00 0.34 0.00 0.00 59.36 59.17 1v9x h GLU 91 Cb 1.46 0.00 0.06 0.00 -0.10 0.00 0.00 28.75 30.17 1v9x h GLU 91 CO 0.13 0.81 0.24 0.45 -1.16 0.00 0.00 179.01 179.48 1v9x s SER 92 N -6.02 5.62 -0.34 1.42 0.15 -1.25 -4.95 113.70 108.33 1v9x s SER 92 Ca -0.18 0.86 -0.28 0.00 0.70 0.00 0.00 55.95 57.05 1v9x s SER 92 Cb -0.01 -1.83 -0.07 0.00 -1.71 0.00 0.00 66.02 62.40 1v9x s SER 92 CO 0.68 -1.10 2.30 0.61 1.20 0.00 0.00 173.24 176.94 1v9x n GLY 93 N -2.68 0.65 3.55 9.45 0.00 -1.26 -4.73 105.19 110.17 1v9x n GLY 93 Ca 0.05 0.76 -0.48 0.00 0.00 0.00 0.00 46.02 46.35 1v9x n GLY 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1v9x n ALA 94 N 12.96 -1.15 0.00 4.61 0.00 -1.25 -4.67 120.51 131.01 1v9x n ALA 94 Ca 0.34 0.45 0.00 0.00 0.00 0.00 0.00 53.44 54.23 1v9x n ALA 94 Cb 0.45 -1.94 0.00 0.00 0.00 0.00 0.00 19.45 17.96 1v9x n ALA 94 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1v9x n GLY 95 N 1.78 -1.27 3.66 0.00 0.00 -1.25 -4.85 105.19 103.26 1v9x n GLY 95 Ca 0.14 -1.58 -0.27 0.00 0.00 0.00 0.00 46.02 44.32 1v9x n GLY 95 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1v9x s SER 96 N -2.90 4.05 -1.68 1.61 1.04 -1.26 -4.73 113.70 109.83 1v9x s SER 96 Ca 0.00 -1.30 -0.10 0.00 0.48 0.00 0.00 55.95 55.03 1v9x s SER 96 Cb 0.00 -0.38 0.10 0.00 0.10 0.00 0.00 66.02 65.83 1v9x s SER 96 CO 0.00 -0.50 0.29 0.59 0.98 0.00 0.00 173.24 174.60 1v9x n ASN 97 N -1.06 -0.39 -3.89 7.02 3.02 -1.26 -0.62 115.26 118.09 1v9x n ASN 97 Ca -0.04 -1.24 -0.26 0.00 -0.03 0.00 0.00 54.58 53.01 1v9x n ASN 97 Cb 0.66 -1.75 -0.05 0.00 -0.61 0.00 0.00 39.78 38.03 1v9x n ASN 97 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 1v9x n THR 98 N -4.37 -1.03 -3.45 3.41 -1.04 -1.26 -4.84 114.28 101.70 1v9x n THR 98 Ca -0.14 -0.39 -0.43 0.00 -2.04 0.00 0.00 64.05 61.05 1v9x n THR 98 Cb 0.60 -0.96 -0.04 0.00 -1.82 0.00 0.00 70.33 68.11 1v9x n THR 98 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 1v9x s SER 99 N -4.00 6.41 -0.08 8.00 0.15 0.21 -5.04 113.70 119.35 1v9x s SER 99 Ca 0.09 -2.95 0.01 0.00 0.70 0.00 0.00 55.95 53.80 1v9x s SER 99 Cb -0.05 -2.10 -0.03 0.00 -1.71 0.00 0.00 66.02 62.13 1v9x s SER 99 CO 0.74 -0.45 -0.10 -0.89 1.20 0.00 0.00 173.24 173.74 1v9x s THR 100 N -0.23 3.45 0.01 6.45 2.01 -1.26 -4.71 115.64 121.36 1v9x s THR 100 Ca 0.20 -0.56 -0.02 0.00 0.31 0.00 0.00 61.69 61.62 1v9x s THR 100 Cb -0.12 -2.41 -0.01 0.00 0.01 0.00 0.00 72.50 69.97 1v9x s THR 100 CO -0.08 0.58 0.02 -0.55 -0.69 0.00 0.00 174.62 173.90 1v9x s SER 101 N -0.55 0.12 -0.65 3.53 0.15 -1.26 -5.10 113.70 109.94 1v9x s SER 101 Ca 0.08 -0.28 -0.27 0.00 0.70 0.00 0.00 55.95 56.18 1v9x s SER 101 Cb -0.12 0.11 -0.00 0.00 -1.71 0.00 0.00 66.02 64.30 1v9x s SER 101 CO 0.02 -0.23 1.63 -0.89 1.20 0.00 0.00 173.24 174.97 1v9x s THR 102 N -1.01 3.50 0.00 6.45 2.01 -1.26 -4.84 115.64 120.49 1v9x s THR 102 Ca -0.11 0.30 0.00 0.00 0.31 0.00 0.00 61.69 62.18 1v9x s THR 102 Cb -0.07 -4.31 0.00 0.00 0.01 0.00 0.00 72.50 68.13 1v9x s THR 102 CO -0.00 -1.26 0.00 0.61 -0.69 0.00 0.00 174.62 173.28 1v9x n GLY 103 N 5.57 0.66 3.62 4.40 0.00 -1.26 -4.78 105.19 113.40 1v9x n GLY 103 Ca 0.14 -0.87 -0.26 0.00 0.00 0.00 0.00 46.02 45.03 1v9x n GLY 103 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1v9x s THR 104 N 0.00 3.43 1.03 2.61 -1.32 -1.26 -5.11 115.64 115.02 1v9x s THR 104 Ca 0.00 -1.61 -0.11 0.00 -1.21 0.00 0.00 61.69 58.75 1v9x s THR 104 Cb 0.00 -2.73 0.21 0.00 -1.51 0.00 0.00 72.50 68.47 1v9x s THR 104 CO 0.00 -0.15 1.09 -0.94 -2.21 0.00 0.00 174.62 172.41 1v9x s SER 105 N -3.01 2.01 -0.04 8.08 1.04 -1.26 -4.98 113.70 115.53 1v9x s SER 105 Ca 0.27 1.87 -0.18 0.00 0.48 0.00 0.00 55.95 58.39 1v9x s SER 105 Cb -0.09 -2.45 -0.05 0.00 0.10 0.00 0.00 66.02 63.54 1v9x s SER 105 CO 0.17 -3.62 0.50 0.42 0.98 0.00 0.00 173.24 171.69 1v9x s THR 106 N -2.56 5.03 -0.41 2.02 -4.23 -1.26 -5.05 115.64 109.19 1v9x s THR 106 Ca 0.67 1.02 0.01 0.00 -1.18 0.00 0.00 61.69 62.22 1v9x s THR 106 Cb -0.24 -3.82 0.13 0.00 1.34 0.00 0.00 72.50 69.91 1v9x s THR 106 CO 0.61 0.44 0.21 -0.94 -0.54 0.00 0.00 174.62 174.40 1v9x s SER 107 N -0.19 3.68 -1.53 3.99 1.04 -1.26 -4.88 113.70 114.55 1v9x s SER 107 Ca 0.27 -2.40 -0.14 0.00 0.48 0.00 0.00 55.95 54.15 1v9x s SER 107 Cb -0.17 -0.96 0.14 0.00 0.10 0.00 0.00 66.02 65.14 1v9x s SER 107 CO 0.14 -0.30 0.36 -0.24 0.98 0.00 0.00 173.24 174.17 1v9x n SER 108 N 3.83 -0.85 -4.57 7.02 2.88 -1.26 -4.74 113.62 115.94 1v9x n SER 108 Ca 0.07 -1.08 -0.40 0.00 -1.33 0.00 0.00 58.87 56.13 1v9x n SER 108 Cb 0.36 -1.37 -0.03 0.00 -0.75 0.00 0.00 64.21 62.43 1v9x n SER 108 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1v9x s SER 109 N -3.31 5.39 0.00 -3.46 1.04 -1.26 -4.00 113.70 108.10 1v9x s SER 109 Ca 0.50 0.77 0.00 0.00 0.48 0.00 0.00 55.95 57.70 1v9x s SER 109 Cb -0.29 -2.52 0.00 0.00 0.10 0.00 0.00 66.02 63.30 1v9x s SER 109 CO 0.87 -2.20 0.00 0.61 0.98 0.00 0.00 173.24 173.50 1v9x n GLY 110 N 5.64 -1.25 0.00 7.32 0.00 -1.26 -4.93 105.19 110.70 1v9x n GLY 110 Ca 0.23 0.43 0.06 0.00 0.00 0.00 0.00 46.02 46.74 1v9x n GLY 110 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1v9x n PRO 111 N 0.00 0.49 -1.23 1.61 -0.04 -1.26 -4.87 135.00 129.70 1v9x n PRO 111 Ca 0.00 0.00 -0.48 0.00 -0.04 0.00 0.00 63.50 62.98 1v9x n PRO 111 Cb 0.00 -1.38 -0.07 0.00 -0.04 0.00 0.00 33.50 32.01 1v9x n PRO 111 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1v9x n SER 112 N -0.88 0.79 -4.63 3.54 3.41 -1.26 -4.78 113.62 109.81 1v9x n SER 112 Ca 0.09 0.85 -0.43 0.00 -0.26 0.00 0.00 58.87 59.12 1v9x n SER 112 Cb 0.04 -0.63 -0.02 0.00 -0.26 0.00 0.00 64.21 63.34 1v9x n SER 112 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1v9x s SER 113 N 1.95 6.65 0.00 4.04 0.15 -1.26 -5.19 113.70 120.04 1v9x s SER 113 Ca 0.74 1.20 0.00 0.00 0.70 0.00 0.00 55.95 58.59 1v9x s SER 113 Cb -1.06 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 60.71 1v9x s SER 113 CO 0.57 -1.10 0.00 0.61 1.20 0.00 0.00 173.24 174.52