#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1v9x n SER 2 N 0.00 0.41 -3.76 1.61 2.88 -1.26 -5.04 113.62 108.46 1v9x n SER 2 Ca 0.00 0.10 -0.26 0.00 -1.33 0.00 0.00 58.87 57.38 1v9x n SER 2 Cb 0.00 -0.09 0.05 0.00 -0.75 0.00 0.00 64.21 63.42 1v9x n SER 2 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1v9x n SER 3 N -3.19 -4.56 -4.18 -3.46 2.88 -1.26 -4.99 113.62 94.87 1v9x n SER 3 Ca 0.00 -0.70 -0.23 0.00 -1.33 0.00 0.00 58.87 56.60 1v9x n SER 3 Cb 0.21 -4.33 -0.14 0.00 -0.75 0.00 0.00 64.21 59.20 1v9x n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1v9x s GLY 4 N -3.54 0.91 -1.52 0.46 0.00 -1.26 -4.78 107.32 97.58 1v9x s GLY 4 Ca 0.50 -0.86 -0.07 0.00 0.00 0.00 0.00 44.72 44.28 1v9x s GLY 4 CO 0.79 -0.79 0.57 -1.26 0.00 0.00 0.00 173.10 172.41 1v9x n SER 5 N 2.15 -1.59 -4.16 1.64 2.88 -1.26 -4.96 113.62 108.32 1v9x n SER 5 Ca -0.16 -1.00 -0.16 0.00 -1.33 0.00 0.00 58.87 56.22 1v9x n SER 5 Cb 0.54 -2.96 -0.11 0.00 -0.75 0.00 0.00 64.21 60.93 1v9x n SER 5 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1v9x s SER 6 N -3.93 1.45 -0.31 -3.46 1.04 -1.26 -5.13 113.70 102.11 1v9x s SER 6 Ca 0.30 -0.71 -0.06 0.00 0.48 0.00 0.00 55.95 55.96 1v9x s SER 6 Cb -0.16 -0.01 0.19 0.00 0.10 0.00 0.00 66.02 66.14 1v9x s SER 6 CO 0.90 -0.19 0.92 -0.83 0.98 0.00 0.00 173.24 175.02 1v9x s GLY 7 N -2.09 -1.12 0.07 7.32 0.00 -1.26 -5.14 107.32 105.10 1v9x s GLY 7 Ca 0.01 1.62 0.09 0.00 0.00 0.00 0.00 44.72 46.43 1v9x s GLY 7 CO 0.01 4.02 -0.22 -2.38 0.00 0.00 0.00 173.10 174.52 1v9x s HIS 8 N 2.70 2.43 0.56 1.90 0.00 -1.26 -5.13 115.29 116.50 1v9x s HIS 8 Ca 0.21 -0.33 -0.15 0.00 -3.00 0.00 0.00 55.06 51.79 1v9x s HIS 8 Cb -0.03 -1.38 -0.06 0.00 -4.00 0.00 0.00 32.58 27.11 1v9x s HIS 8 CO -0.21 0.25 1.01 0.15 -1.00 0.00 0.00 174.74 174.94 1v9x s LYS 9 N -1.61 3.70 0.26 -0.38 3.01 -1.26 -4.98 119.74 118.49 1v9x s LYS 9 Ca 0.14 0.98 0.04 0.00 -1.01 0.00 0.00 55.97 56.12 1v9x s LYS 9 Cb -0.10 -2.10 0.35 0.00 -1.01 0.00 0.00 37.83 34.97 1v9x s LYS 9 CO 0.05 -0.48 1.64 -1.00 0.51 0.00 0.00 175.35 176.08 1v9x h PRO 10 N 0.53 0.31 -6.58 -1.68 0.13 -1.86 -3.44 132.00 119.41 1v9x h PRO 10 Ca -0.46 -0.17 -0.66 0.00 -0.87 0.00 0.00 66.00 63.84 1v9x h PRO 10 Cb 1.19 0.01 -0.16 0.00 0.13 0.00 0.00 31.00 32.17 1v9x h PRO 10 CO 0.60 0.71 -0.75 -1.58 -0.23 0.00 0.00 178.00 176.75 1v9x s TRP 11 N -4.08 2.65 0.07 1.56 0.52 -0.85 -0.01 118.94 118.81 1v9x s TRP 11 Ca -0.05 -0.21 0.08 0.00 0.02 0.00 0.00 56.10 55.95 1v9x s TRP 11 Cb 0.13 -1.37 -0.03 0.00 -1.15 0.00 0.00 33.47 31.05 1v9x s TRP 11 CO 0.79 0.44 -0.22 -0.98 0.02 0.00 0.00 176.95 176.99 1v9x s ARG 12 N -2.35 1.36 -0.16 4.98 1.70 -0.60 -1.07 118.95 122.82 1v9x s ARG 12 Ca 0.21 -1.08 -0.01 0.00 -0.47 0.00 0.00 55.73 54.38 1v9x s ARG 12 Cb -0.10 -1.58 0.04 0.00 -0.57 0.00 0.00 34.95 32.74 1v9x s ARG 12 CO 0.13 0.39 -0.01 0.00 -1.08 0.00 0.00 175.30 174.73 1v9x s ALA 13 N -0.94 1.16 -0.05 7.88 0.00 0.35 -2.40 121.76 127.76 1v9x s ALA 13 Ca 0.09 -0.64 -0.30 0.00 0.00 0.00 0.00 51.96 51.10 1v9x s ALA 13 Cb -0.09 -1.06 0.07 0.00 0.00 0.00 0.00 23.12 22.04 1v9x s ALA 13 CO 0.03 -0.85 0.70 -1.83 0.00 0.00 0.00 175.76 173.81 1v9x s GLU 14 N 1.78 1.04 -0.02 0.00 -1.05 -1.25 -4.25 118.70 114.94 1v9x s GLU 14 Ca 0.01 0.21 -0.30 0.00 -0.15 0.00 0.00 54.97 54.74 1v9x s GLU 14 Cb -0.15 0.49 -0.03 0.00 -0.44 0.00 0.00 34.13 34.00 1v9x s GLU 14 CO -0.07 -0.33 0.98 0.71 0.95 0.00 0.00 175.26 177.49 1v9x s TYR 15 N -1.33 3.64 0.65 4.83 1.51 -1.26 -3.78 117.35 121.61 1v9x s TYR 15 Ca -0.10 1.68 -0.17 0.00 -1.01 0.00 0.00 57.07 57.47 1v9x s TYR 15 Cb -0.00 -3.13 -0.02 0.00 -0.11 0.00 0.00 41.96 38.70 1v9x s TYR 15 CO 0.08 -0.04 1.05 0.00 -1.11 0.00 0.00 175.55 175.53 1v9x n ALA 16 N 4.07 0.31 -0.02 3.71 0.00 -1.12 -4.77 120.51 122.69 1v9x n ALA 16 Ca 0.06 -0.06 0.05 0.00 0.00 0.00 0.00 53.44 53.49 1v9x n ALA 16 Cb 0.51 -2.17 -0.12 0.00 0.00 0.00 0.00 19.45 17.67 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 -1.54 0.69 -3.82 0.00 4.76 -1.26 -1.57 118.16 115.42 1v9x n LYS 17 Ca 0.14 -0.11 -0.11 0.00 -2.87 0.00 0.00 58.31 55.36 1v9x n LYS 17 Cb 0.48 -1.36 -0.08 0.00 -1.84 0.00 0.00 35.03 32.23 1v9x n LYS 17 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 1v9x s SER 18 N -3.95 0.00 -0.18 4.39 0.01 -1.26 -4.78 113.70 107.93 1v9x s SER 18 Ca -0.06 -0.35 0.00 0.00 1.31 0.00 0.00 55.95 56.85 1v9x s SER 18 Cb 0.09 0.31 0.19 0.00 0.21 0.00 0.00 66.02 66.82 1v9x s SER 18 CO 0.63 -0.59 1.61 -1.20 0.41 0.00 0.00 173.24 174.10 1v9x n SER 19 N 0.59 4.49 0.01 2.44 7.64 -1.26 -3.92 113.62 123.61 1v9x n SER 19 Ca -0.18 -2.68 -0.22 0.00 1.01 0.00 0.00 58.87 56.79 1v9x n SER 19 Cb 0.59 -0.81 -0.14 0.00 -1.01 0.00 0.00 64.21 62.84 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 0.76 0.26 -7.16 1.43 3.08 -1.96 -3.43 114.38 107.35 1v9x h ARG 20 Ca 0.21 -0.44 -0.53 0.00 0.07 0.00 0.00 59.98 59.29 1v9x h ARG 20 Cb 1.34 0.16 0.15 0.00 0.08 0.00 0.00 29.97 31.70 1v9x h ARG 20 CO 0.44 1.21 0.41 -1.54 -1.07 0.00 0.00 179.97 179.43 1v9x s SER 21 N -7.07 4.43 -0.02 7.04 1.04 -1.26 -4.88 113.70 112.98 1v9x s SER 21 Ca -0.21 2.36 0.01 0.00 0.48 0.00 0.00 55.95 58.59 1v9x s SER 21 Cb 0.05 -2.59 0.01 0.00 0.10 0.00 0.00 66.02 63.60 1v9x s SER 21 CO 0.77 -2.10 -0.02 -0.44 0.98 0.00 0.00 173.24 172.42 1v9x s SER 22 N -1.95 0.51 0.95 7.02 0.01 -1.26 -1.29 113.70 117.68 1v9x s SER 22 Ca 0.75 -0.06 -0.11 0.00 1.31 0.00 0.00 55.95 57.84 1v9x s SER 22 Cb -0.29 -0.19 0.15 0.00 0.21 0.00 0.00 66.02 65.89 1v9x s SER 22 CO 0.43 -0.04 1.05 0.00 0.41 0.00 0.00 173.24 175.10 1v9x n LYS 24 N -4.05 2.28 0.18 0.00 4.76 -1.17 -2.74 118.16 117.42 1v9x n LYS 24 Ca 0.11 -0.01 0.04 0.00 -2.87 0.00 0.00 58.31 55.57 1v9x n LYS 24 Cb 0.52 -1.24 0.31 0.00 -1.84 0.00 0.00 35.03 32.79 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 1.08 0.00 -0.18 2.02 -1.93 -3.30 112.91 110.60 1v9x h THR 25 Ca -0.23 -1.62 0.00 0.00 0.77 0.00 0.00 66.41 65.33 1v9x h THR 25 Cb 1.46 1.93 0.00 0.00 -1.74 0.00 0.00 68.15 69.81 1v9x h THR 25 CO 0.01 0.42 -0.08 0.00 0.37 0.00 0.00 175.52 176.25 1v9x n LYS 27 N -0.83 -7.27 -4.66 0.00 4.01 -1.11 -5.01 118.16 103.29 1v9x n LYS 27 Ca 0.00 0.83 -0.31 0.00 -0.51 0.00 0.00 58.31 58.32 1v9x n LYS 27 Cb 0.00 -5.83 -0.08 0.00 -0.51 0.00 0.00 35.03 28.61 1v9x n LYS 27 CO 0.00 0.00 0.00 -1.12 -1.11 0.00 0.00 177.40 175.17 1v9x s SER 28 N -3.78 4.10 0.07 4.39 0.01 -1.22 -4.86 113.70 112.41 1v9x s SER 28 Ca 0.32 -1.54 -0.20 0.00 1.31 0.00 0.00 55.95 55.84 1v9x s SER 28 Cb -0.14 0.24 -0.07 0.00 0.21 0.00 0.00 66.02 66.26 1v9x s SER 28 CO 0.72 -0.75 0.59 -0.69 0.41 0.00 0.00 173.24 173.52 1v9x s VAL 29 N -2.82 4.74 -0.75 3.43 1.01 -1.26 0.14 120.40 124.90 1v9x s VAL 29 Ca 0.16 1.26 -0.08 0.00 0.00 0.00 0.00 61.98 63.32 1v9x s VAL 29 Cb 0.04 -3.92 0.19 0.00 0.00 0.00 0.00 36.38 32.69 1v9x s VAL 29 CO 0.09 0.53 0.62 -0.63 0.00 0.00 0.00 175.10 175.71 1v9x s ILE 30 N -0.96 4.63 0.59 2.22 1.01 -0.41 -4.81 121.20 123.48 1v9x s ILE 30 Ca 0.30 -2.84 -0.19 0.00 0.00 0.00 0.00 60.65 57.92 1v9x s ILE 30 Cb -0.20 -3.92 -0.05 0.00 0.01 0.00 0.00 42.46 38.30 1v9x s ILE 30 CO 0.19 -0.97 1.02 0.59 0.00 0.00 0.00 174.94 175.77 1v9x n ASN 31 N 3.58 1.03 -4.64 3.58 4.13 -1.26 -4.28 115.26 117.40 1v9x n ASN 31 Ca 0.12 0.84 -0.30 0.00 1.68 0.00 0.00 54.58 56.92 1v9x n ASN 31 Cb 0.42 -1.41 0.18 0.00 -1.54 0.00 0.00 39.78 37.42 1v9x n ASN 31 CO 0.00 0.00 0.00 -1.59 0.28 0.00 0.00 177.26 175.95 1v9x s LYS 32 N -2.74 0.61 -0.82 3.52 -2.85 -1.25 -3.63 119.74 112.57 1v9x s LYS 32 Ca 0.75 1.12 0.00 0.00 -1.00 0.00 0.00 55.97 56.83 1v9x s LYS 32 Cb -0.43 -1.71 0.00 0.00 -2.06 0.00 0.00 37.83 33.63 1v9x s LYS 32 CO 0.48 -2.77 0.00 0.39 0.10 0.00 0.00 175.35 173.54 1v9x n GLU 33 N -4.29 -0.64 -4.42 1.78 1.02 -0.61 -4.90 120.64 108.58 1v9x n GLU 33 Ca 0.08 0.61 -0.25 0.00 -0.02 0.00 0.00 57.16 57.58 1v9x n GLU 33 Cb 0.54 -4.53 -0.13 0.00 -0.02 0.00 0.00 31.44 27.29 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 -2.76 2.51 -0.46 1.62 0.01 -1.24 -4.93 114.94 109.69 1v9x s ASN 34 Ca 0.00 -0.62 -0.28 0.00 -0.71 0.00 0.00 52.86 51.25 1v9x s ASN 34 Cb 0.00 -0.16 0.03 0.00 0.41 0.00 0.00 41.25 41.52 1v9x s ASN 34 CO 0.00 0.10 1.05 0.12 -1.51 0.00 0.00 177.10 176.86 1v9x s PHE 35 N -1.02 2.88 0.43 2.20 5.36 -1.26 -2.79 117.98 123.77 1v9x s PHE 35 Ca 0.07 0.63 0.06 0.00 -0.96 0.00 0.00 56.93 56.72 1v9x s PHE 35 Cb -0.10 -4.20 -0.07 0.00 -0.34 0.00 0.00 43.02 38.32 1v9x s PHE 35 CO 0.03 -1.17 0.01 -0.98 -1.46 0.00 0.00 175.22 171.66 1v9x s ARG 36 N 4.13 1.99 -0.01 10.12 1.70 -1.25 -2.78 118.95 132.85 1v9x s ARG 36 Ca 0.44 -2.16 0.04 0.00 -0.47 0.00 0.00 55.73 53.58 1v9x s ARG 36 Cb -0.09 -1.58 -0.01 0.00 -0.57 0.00 0.00 34.95 32.71 1v9x s ARG 36 CO 0.28 -0.12 -0.12 -0.51 -1.08 0.00 0.00 175.30 173.75 1v9x s LEU 37 N -3.73 2.00 -0.21 -1.89 1.43 -0.09 -3.94 118.68 112.26 1v9x s LEU 37 Ca 0.29 -0.23 0.01 0.00 -1.03 0.00 0.00 54.13 53.18 1v9x s LEU 37 Cb 0.08 -0.65 0.05 0.00 0.03 0.00 0.00 46.19 45.70 1v9x s LEU 37 CO 0.15 0.15 -0.09 -0.83 0.23 0.00 0.00 176.35 175.95 1v9x s GLY 38 N -0.25 1.30 -0.57 -3.19 0.00 -1.01 -0.58 107.32 103.01 1v9x s GLY 38 Ca 0.04 -1.27 -0.28 0.00 0.00 0.00 0.00 44.72 43.21 1v9x s GLY 38 CO -0.00 0.73 1.30 1.25 0.00 0.00 0.00 173.10 176.38 1v9x s LYS 39 N 1.37 3.40 -0.53 2.90 2.20 -1.01 -1.56 119.74 126.52 1v9x s LYS 39 Ca -0.03 0.34 -0.28 0.00 -0.36 0.00 0.00 55.97 55.64 1v9x s LYS 39 Cb -0.17 -4.07 0.01 0.00 -1.51 0.00 0.00 37.83 32.09 1v9x s LYS 39 CO -0.08 -1.82 1.40 -0.51 -0.36 0.00 0.00 175.35 173.99 1v9x s LEU 40 N 5.51 3.45 -0.05 5.43 1.43 0.99 -2.26 118.68 133.18 1v9x s LEU 40 Ca 0.47 0.40 -0.01 0.00 -1.03 0.00 0.00 54.13 53.96 1v9x s LEU 40 Cb -0.09 -3.17 -0.04 0.00 0.03 0.00 0.00 46.19 42.92 1v9x s LEU 40 CO 0.25 -1.64 0.03 0.68 0.23 0.00 0.00 176.35 175.90 1v9x s VAL 41 N 5.88 4.49 -0.17 -1.59 -7.23 -1.26 -4.80 120.40 115.72 1v9x s VAL 41 Ca 0.54 -0.33 -0.15 0.00 -1.81 0.00 0.00 61.98 60.23 1v9x s VAL 41 Cb -0.11 -2.96 -0.04 0.00 0.56 0.00 0.00 36.38 33.82 1v9x s VAL 41 CO 0.27 0.49 0.33 -1.10 -0.31 0.00 0.00 175.10 174.78 1v9x s GLN 42 N -1.28 4.23 0.00 4.82 -0.21 -1.26 -3.77 119.66 122.20 1v9x s GLN 42 Ca 0.17 0.14 0.01 0.00 0.02 0.00 0.00 55.36 55.70 1v9x s GLN 42 Cb -0.12 -3.47 -0.04 0.00 1.00 0.00 0.00 33.01 30.39 1v9x s GLN 42 CO 0.07 0.14 0.02 0.45 -2.12 0.00 0.00 175.29 173.85 1v9x s SER 43 N 0.69 5.27 -0.25 5.90 0.15 -1.26 -5.03 113.70 119.18 1v9x s SER 43 Ca 0.18 0.02 -0.01 0.00 0.70 0.00 0.00 55.95 56.84 1v9x s SER 43 Cb -0.14 -1.41 -0.17 0.00 -1.71 0.00 0.00 66.02 62.59 1v9x s SER 43 CO 0.06 0.27 -0.20 1.07 1.20 0.00 0.00 173.24 175.64 1v9x n THR 44 N 1.27 1.52 -0.04 6.45 5.66 -1.26 -4.70 114.28 123.18 1v9x n THR 44 Ca -0.14 -0.55 -0.00 0.00 -3.05 0.00 0.00 64.05 60.32 1v9x n THR 44 Cb 0.53 -1.51 -0.00 0.00 -1.55 0.00 0.00 70.33 67.80 1v9x n THR 44 CO 0.00 0.00 0.00 -0.74 -3.05 0.00 0.00 175.07 171.28 1v9x h HIS 45 N -0.14 -0.00 -3.85 1.09 -0.00 -2.02 -3.47 115.15 106.77 1v9x h HIS 45 Ca -0.58 -0.00 -0.45 0.00 -0.00 0.00 0.00 60.37 59.33 1v9x h HIS 45 Cb 1.87 0.00 0.16 0.00 -0.00 0.00 0.00 27.41 29.44 1v9x h HIS 45 CO 0.02 -0.00 0.18 -0.06 -0.00 0.00 0.00 177.93 178.07 1v9x s PHE 46 N -1.40 2.06 0.27 5.26 0.08 -1.26 -5.06 117.98 117.92 1v9x s PHE 46 Ca -0.00 1.02 0.09 0.00 0.12 0.00 0.00 56.93 58.16 1v9x s PHE 46 Cb 0.00 -3.25 -0.04 0.00 -0.57 0.00 0.00 43.02 39.16 1v9x s PHE 46 CO 0.00 -2.94 0.05 0.34 -0.10 0.00 0.00 175.22 172.57 1v9x s ASP 47 N -3.39 4.76 0.36 1.36 -1.08 -1.26 -4.74 116.67 112.68 1v9x s ASP 47 Ca 0.65 -0.58 0.00 0.00 -0.52 0.00 0.00 52.55 52.11 1v9x s ASP 47 Cb -0.19 -0.95 0.00 0.00 -1.46 0.00 0.00 42.92 40.32 1v9x s ASP 47 CO 0.58 -0.03 0.00 0.61 0.52 0.00 0.00 175.17 176.85 1v9x n GLY 48 N -0.98 -3.22 3.82 2.66 0.00 -1.26 -4.90 105.19 101.31 1v9x n GLY 48 Ca -0.06 -1.16 -0.38 0.00 0.00 0.00 0.00 46.02 44.41 1v9x n GLY 48 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1v9x s ILE 49 N -4.08 4.80 -0.69 -0.61 1.01 -1.26 -4.64 121.20 115.73 1v9x s ILE 49 Ca 0.00 1.14 -0.09 0.00 0.00 0.00 0.00 60.65 61.70 1v9x s ILE 49 Cb 0.00 -3.86 0.18 0.00 0.01 0.00 0.00 42.46 38.79 1v9x s ILE 49 CO 0.00 0.55 0.56 -0.04 0.00 0.00 0.00 174.94 176.02 1v9x s MET 50 N -1.12 2.99 -0.52 2.79 -1.94 -1.25 -4.99 119.30 115.26 1v9x s MET 50 Ca 0.28 -2.38 -0.27 0.00 -1.71 0.00 0.00 55.69 51.61 1v9x s MET 50 Cb -0.19 -4.06 -0.02 0.00 2.01 0.00 0.00 34.83 32.58 1v9x s MET 50 CO 0.18 -1.23 1.81 -1.25 -0.01 0.00 0.00 175.02 174.52 1v9x s PRO 51 N 0.25 2.88 -0.67 2.03 0.04 -1.26 -4.04 135.00 134.23 1v9x s PRO 51 Ca 0.15 0.85 -0.26 0.00 0.04 0.00 0.00 61.00 61.78 1v9x s PRO 51 Cb -0.17 -4.31 -0.05 0.00 0.04 0.00 0.00 34.50 30.01 1v9x s PRO 51 CO -0.05 -2.42 2.07 -1.64 0.04 0.00 0.00 177.00 175.01 1v9x s MET 52 N 6.52 2.36 -0.17 4.56 -1.94 -0.96 -4.71 119.30 124.96 1v9x s MET 52 Ca 0.70 0.57 -0.29 0.00 -1.71 0.00 0.00 55.69 54.96 1v9x s MET 52 Cb -0.15 -4.64 -0.03 0.00 2.01 0.00 0.00 34.83 32.02 1v9x s MET 52 CO 0.25 -3.22 1.46 -1.58 -0.01 0.00 0.00 175.02 171.91 1v9x s TRP 53 N 10.75 2.41 -0.10 -0.03 0.23 -1.26 -2.40 118.94 128.54 1v9x s TRP 53 Ca 0.78 0.66 -0.07 0.00 -2.03 0.00 0.00 56.10 55.44 1v9x s TRP 53 Cb -0.12 -3.78 0.03 0.00 0.03 0.00 0.00 33.47 29.63 1v9x s TRP 53 CO 0.15 -2.58 0.24 -0.80 0.96 0.00 0.00 176.95 174.92 1v9x s ASN 54 N 3.00 -0.25 0.22 2.95 0.01 0.25 -3.02 114.94 118.10 1v9x s ASN 54 Ca 0.64 0.50 -0.29 0.00 -0.71 0.00 0.00 52.86 52.99 1v9x s ASN 54 Cb -0.25 0.44 -0.16 0.00 0.41 0.00 0.00 41.25 41.69 1v9x s ASN 54 CO 0.23 -0.12 0.81 1.41 -1.51 0.00 0.00 177.10 177.92 1v9x n HIS 55 N 3.58 0.44 0.32 2.20 8.25 -1.26 -0.91 115.22 127.84 1v9x n HIS 55 Ca -0.19 0.84 0.19 0.00 -0.26 0.00 0.00 57.72 58.30 1v9x n HIS 55 Cb 0.56 -2.11 1.01 0.00 1.12 0.00 0.00 29.99 30.57 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 1.75 1.11 0.00 -1.41 0.00 -1.80 0.19 119.26 119.10 1v9x h ALA 56 Ca -0.35 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1v9x h ALA 56 Cb 1.39 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.18 1v9x h ALA 56 CO 0.60 -0.11 -1.48 0.45 0.00 0.00 0.00 179.25 178.71 1v9x n SER 57 N -2.91 0.43 0.12 0.00 2.88 -1.26 -3.26 113.62 109.62 1v9x n SER 57 Ca -0.02 0.11 -0.00 0.00 -1.33 0.00 0.00 58.87 57.63 1v9x n SER 57 Cb 0.17 1.22 0.03 0.00 -0.75 0.00 0.00 64.21 64.89 1v9x n SER 57 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1v9x h ILE 59 N 0.00 0.97 -0.83 0.00 1.08 -1.60 -3.36 117.51 113.77 1v9x h ILE 59 Ca -0.01 -2.19 0.20 0.00 -0.39 0.00 0.00 64.86 62.48 1v9x h ILE 59 Cb 1.42 2.30 -0.05 0.00 -3.07 0.00 0.00 36.82 37.42 1v9x h ILE 59 CO 0.08 0.34 0.57 -0.07 -0.69 0.00 0.00 178.15 178.37 1v9x h LEU 60 N -0.99 0.24 -1.61 1.44 3.38 -1.69 0.55 115.31 116.64 1v9x h LEU 60 Ca -0.33 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.63 1v9x h LEU 60 Cb 1.29 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 42.02 1v9x h LEU 60 CO -0.19 0.10 -0.16 0.07 0.09 0.00 0.00 178.44 178.35 1v9x h LYS 61 N 0.25 0.00 0.00 1.13 2.10 -1.70 -3.44 116.57 114.91 1v9x h LYS 61 Ca 0.41 0.00 -0.31 0.00 -2.00 0.00 0.00 60.65 58.75 1v9x h LYS 61 Cb 1.24 0.00 0.13 0.00 -0.90 0.00 0.00 32.23 32.70 1v9x h LYS 61 CO -0.10 0.16 0.30 1.63 -2.00 0.00 0.00 179.45 179.44 1v9x n LYS 62 N -3.50 -0.98 -4.42 0.07 5.02 0.19 -5.08 118.16 109.46 1v9x n LYS 62 Ca -0.01 -1.50 -0.25 0.00 -2.02 0.00 0.00 58.31 54.53 1v9x n LYS 62 Cb 0.31 -1.01 -0.11 0.00 -0.02 0.00 0.00 35.03 34.20 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 -3.11 2.28 -1.41 -0.18 2.01 -1.26 -4.74 115.64 109.24 1v9x s THR 63 Ca 0.55 -2.09 -0.04 0.00 0.31 0.00 0.00 61.69 60.42 1v9x s THR 63 Cb -0.02 -2.11 0.03 0.00 0.01 0.00 0.00 72.50 70.41 1v9x s THR 63 CO 0.39 -0.21 0.66 0.29 -0.69 0.00 0.00 174.62 175.05 1v9x n LYS 64 N 0.08 -4.34 -0.12 4.92 5.02 -1.26 -4.91 118.16 117.55 1v9x n LYS 64 Ca -0.11 0.53 -0.22 0.00 -2.02 0.00 0.00 58.31 56.48 1v9x n LYS 64 Cb 0.57 -5.00 -0.07 0.00 -0.02 0.00 0.00 35.03 30.50 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 -4.39 0.56 -4.59 1.97 1.13 -1.26 -5.01 117.38 105.78 1v9x n GLN 65 Ca -0.22 0.24 -0.22 0.00 -1.94 0.00 0.00 57.00 54.86 1v9x n GLN 65 Cb 0.64 -1.46 -0.15 0.00 0.11 0.00 0.00 30.24 29.38 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 -2.65 1.09 -0.14 5.09 1.01 -1.26 -5.04 121.20 119.30 1v9x s ILE 66 Ca -0.35 -0.64 -0.18 0.00 0.00 0.00 0.00 60.65 59.48 1v9x s ILE 66 Cb 0.11 -0.92 -0.25 0.00 0.01 0.00 0.00 42.46 41.41 1v9x s ILE 66 CO 0.46 0.27 0.47 0.50 0.00 0.00 0.00 174.94 176.64 1v9x h LYS 67 N 5.69 0.16 -2.59 2.79 3.64 -1.90 -3.40 116.57 120.96 1v9x h LYS 67 Ca -0.35 -0.28 -0.06 0.00 -1.27 0.00 0.00 60.65 58.70 1v9x h LYS 67 Cb 1.16 0.10 -0.17 0.00 -0.41 0.00 0.00 32.23 32.92 1v9x h LYS 67 CO 0.48 1.13 0.06 0.45 -2.27 0.00 0.00 179.45 179.31 1v9x s SER 68 N -6.92 -0.49 0.56 4.20 0.15 -1.26 -4.75 113.70 105.20 1v9x s SER 68 Ca -0.22 0.31 0.31 0.00 0.70 0.00 0.00 55.95 57.04 1v9x s SER 68 Cb 0.04 0.50 1.46 0.00 -1.71 0.00 0.00 66.02 66.31 1v9x s SER 68 CO 0.71 -0.68 1.86 -0.37 1.20 0.00 0.00 173.24 175.96 1v9x h VAL 69 N 2.89 0.44 -0.03 4.45 -1.51 -1.94 0.39 116.25 120.94 1v9x h VAL 69 Ca -0.30 0.00 0.01 0.00 -1.23 0.00 0.00 66.70 65.18 1v9x h VAL 69 Cb 1.19 0.54 -0.00 0.00 -2.13 0.00 0.00 31.29 30.89 1v9x h VAL 69 CO 0.40 0.00 0.02 -2.24 -1.23 0.00 0.00 177.57 174.52 1v9x h ASP 70 N 0.00 0.01 0.09 4.19 3.04 -2.01 0.14 116.42 121.88 1v9x h ASP 70 Ca 0.36 -0.00 0.00 0.00 -3.24 0.00 0.00 57.03 54.15 1v9x h ASP 70 Cb 1.61 -0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.89 1v9x h ASP 70 CO -0.00 0.00 0.00 0.47 -2.04 0.00 0.00 179.24 177.67 1v9x n ASP 71 N -4.53 0.00 -4.35 4.15 8.00 0.14 -4.66 116.55 115.29 1v9x n ASP 71 Ca -0.02 -0.83 -0.37 0.00 0.71 0.00 0.00 54.79 54.28 1v9x n ASP 71 Cb 0.11 -0.05 -0.13 0.00 -0.02 0.00 0.00 41.12 41.03 1v9x n ASP 71 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1v9x s VAL 72 N -2.09 3.88 0.61 2.53 1.01 0.50 -2.00 120.40 124.84 1v9x s VAL 72 Ca 0.43 -0.60 -0.10 0.00 0.00 0.00 0.00 61.98 61.72 1v9x s VAL 72 Cb 0.21 -2.94 -0.02 0.00 0.00 0.00 0.00 36.38 33.63 1v9x s VAL 72 CO 0.37 0.18 0.99 -0.70 0.00 0.00 0.00 175.10 175.94 1v9x s GLU 73 N 1.51 3.36 -0.95 2.72 2.12 -0.23 -3.81 118.70 123.41 1v9x s GLU 73 Ca 0.04 0.53 0.00 0.00 0.36 0.00 0.00 54.97 55.89 1v9x s GLU 73 Cb -0.16 -2.13 0.00 0.00 0.26 0.00 0.00 34.13 32.09 1v9x s GLU 73 CO 0.01 -0.63 0.00 0.41 -0.54 0.00 0.00 175.26 174.51 1v9x n GLY 74 N -2.72 0.20 0.18 -1.50 0.00 -1.26 -0.50 105.19 99.60 1v9x n GLY 74 Ca 0.05 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.13 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 0.76 0.00 -0.61 2.10 -1.74 -2.94 117.51 115.08 1v9x h ILE 75 Ca -0.22 -1.69 0.00 0.00 1.08 0.00 0.00 64.86 64.03 1v9x h ILE 75 Cb 0.92 2.09 0.00 0.00 -1.09 0.00 0.00 36.82 38.74 1v9x h ILE 75 CO 0.29 0.37 0.00 -1.84 -1.08 0.00 0.00 178.15 175.89 1v9x n GLU 76 N -3.35 0.20 0.09 2.19 0.28 -1.26 -2.68 120.64 116.11 1v9x n GLU 76 Ca 0.01 0.27 0.12 0.00 -0.16 0.00 0.00 57.16 57.40 1v9x n GLU 76 Cb 0.58 -1.78 0.18 0.00 1.43 0.00 0.00 31.44 31.85 1v9x n GLU 76 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 1v9x h SER 77 N 0.00 0.00 -4.13 -1.84 0.87 -1.85 -3.47 113.55 103.14 1v9x h SER 77 Ca 0.00 -0.13 -0.47 0.00 -1.23 0.00 0.00 61.79 59.96 1v9x h SER 77 Cb 0.56 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 62.55 1v9x h SER 77 CO 0.00 0.06 0.37 -0.76 -0.53 0.00 0.00 176.83 175.98 1v9x s LEU 78 N -4.64 3.73 0.51 2.23 1.43 -1.09 -4.98 118.68 115.86 1v9x s LEU 78 Ca 0.06 1.78 -0.23 0.00 -1.03 0.00 0.00 54.13 54.71 1v9x s LEU 78 Cb 0.12 -4.54 -0.06 0.00 0.03 0.00 0.00 46.19 41.74 1v9x s LEU 78 CO 0.71 -0.76 1.39 -0.13 0.23 0.00 0.00 176.35 177.79 1v9x s ARG 79 N -3.61 3.37 0.19 1.70 1.81 -1.26 -4.53 118.95 116.62 1v9x s ARG 79 Ca 0.64 2.32 -0.17 0.00 -1.72 0.00 0.00 55.73 56.80 1v9x s ARG 79 Cb -0.14 -2.43 0.17 0.00 -0.45 0.00 0.00 34.95 32.10 1v9x s ARG 79 CO 0.25 -1.03 1.33 1.87 -0.68 0.00 0.00 175.30 177.04 1v9x n TRP 80 N -0.67 -0.03 -0.27 -0.53 -0.00 -1.26 0.15 117.44 114.82 1v9x n TRP 80 Ca 0.08 1.06 0.06 0.00 -0.00 0.00 0.00 57.50 58.70 1v9x n TRP 80 Cb 0.44 -0.78 0.21 0.00 -0.00 0.00 0.00 31.31 31.17 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 0.51 0.21 5.87 4.11 -1.99 -0.17 114.58 123.12 1v9x h GLU 81 Ca 0.27 -0.03 -0.01 0.00 0.07 0.00 0.00 59.36 59.66 1v9x h GLU 81 Cb 0.49 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.63 1v9x h GLU 81 CO -0.84 0.34 -0.10 -0.44 0.07 0.00 0.00 179.01 178.03 1v9x h ASP 82 N 0.53 -0.24 -0.59 3.06 3.32 0.98 -2.36 116.42 121.11 1v9x h ASP 82 Ca 0.44 -0.14 0.14 0.00 0.02 0.00 0.00 57.03 57.49 1v9x h ASP 82 Cb 0.64 0.06 -0.03 0.00 0.22 0.00 0.00 39.33 40.23 1v9x h ASP 82 CO -0.38 0.00 0.41 1.56 -1.72 0.00 0.00 179.24 179.11 1v9x h GLN 83 N -0.49 0.18 -0.28 3.56 4.20 -0.25 -0.09 115.11 121.94 1v9x h GLN 83 Ca -0.03 -0.01 -0.16 0.00 0.06 0.00 0.00 58.65 58.51 1v9x h GLN 83 Cb 0.37 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.10 1v9x h GLN 83 CO 0.05 0.12 -0.45 1.96 -0.67 0.00 0.00 178.83 179.84 1v9x h GLN 84 N 0.19 0.73 -0.07 1.46 1.08 -0.77 -2.85 115.11 114.89 1v9x h GLN 84 Ca 0.28 -0.41 0.02 0.00 -1.45 0.00 0.00 58.65 57.09 1v9x h GLN 84 Cb 0.86 0.03 -0.00 0.00 -0.05 0.00 0.00 27.48 28.32 1v9x h GLN 84 CO -0.05 1.03 0.06 0.87 -0.95 0.00 0.00 178.83 179.79 1v9x h LYS 85 N 0.59 0.00 0.01 1.46 1.57 -0.48 0.17 116.57 119.89 1v9x h LYS 85 Ca 0.04 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.82 1v9x h LYS 85 Cb 1.01 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.32 1v9x h LYS 85 CO 0.10 0.00 -0.01 0.82 -0.57 0.00 0.00 179.45 179.79 1v9x h ILE 86 N 0.00 0.00 -0.92 1.86 1.08 -1.39 -3.19 117.51 114.95 1v9x h ILE 86 Ca 0.03 -0.42 0.14 0.00 -0.39 0.00 0.00 64.86 64.22 1v9x h ILE 86 Cb 0.15 0.00 -0.09 0.00 -3.07 0.00 0.00 36.82 33.81 1v9x h ILE 86 CO -0.00 0.00 0.54 0.08 -0.69 0.00 0.00 178.15 178.08 1v9x h ARG 87 N -0.44 0.77 0.00 2.37 0.11 -1.46 0.66 114.38 116.39 1v9x h ARG 87 Ca -0.00 -0.05 0.00 0.00 0.10 0.00 0.00 59.98 60.03 1v9x h ARG 87 Cb 0.01 -0.17 0.00 0.00 1.11 0.00 0.00 29.97 30.92 1v9x h ARG 87 CO 0.00 0.51 0.00 1.63 0.10 0.00 0.00 179.97 182.21 1v9x n LYS 88 N -4.75 0.59 -0.03 0.08 4.76 0.61 -1.57 118.16 117.85 1v9x n LYS 88 Ca 0.18 0.00 -0.04 0.00 -2.87 0.00 0.00 58.31 55.59 1v9x n LYS 88 Cb 0.41 -1.39 -0.03 0.00 -1.84 0.00 0.00 35.03 32.18 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 -0.89 0.00 0.42 2.13 9.36 0.21 -2.90 117.16 125.48 1v9x n TYR 89 Ca 0.11 0.00 0.12 0.00 3.32 0.00 0.00 57.90 61.46 1v9x n TYR 89 Cb 0.05 -0.24 0.26 0.00 -0.63 0.00 0.00 39.34 38.78 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 0.00 0.00 0.00 2.97 -1.51 -0.68 -2.03 116.25 115.00 1v9x h VAL 90 Ca -0.14 -0.73 -0.44 0.00 -1.23 0.00 0.00 66.70 64.17 1v9x h VAL 90 Cb 1.24 1.66 -0.07 0.00 -2.13 0.00 0.00 31.29 32.00 1v9x h VAL 90 CO -0.01 0.00 -2.41 -0.62 -1.23 0.00 0.00 177.57 173.29 1v9x n GLU 91 N -2.62 0.60 -0.09 5.19 -0.58 -0.61 -4.14 120.64 118.39 1v9x n GLU 91 Ca 0.04 0.28 -0.15 0.00 -0.42 0.00 0.00 57.16 56.91 1v9x n GLU 91 Cb 0.48 -1.52 -0.05 0.00 -0.57 0.00 0.00 31.44 29.78 1v9x n GLU 91 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1v9x n SER 92 N -4.14 1.78 -3.76 1.62 2.88 -1.26 -4.79 113.62 105.95 1v9x n SER 92 Ca -0.51 0.30 0.00 0.00 -1.33 0.00 0.00 58.87 57.33 1v9x n SER 92 Cb 0.88 -0.70 0.00 0.00 -0.75 0.00 0.00 64.21 63.65 1v9x n SER 92 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1v9x n GLY 93 N 1.63 -3.07 3.69 0.46 0.00 -0.79 -4.83 105.19 102.28 1v9x n GLY 93 Ca -0.26 -1.04 -0.42 0.00 0.00 0.00 0.00 46.02 44.29 1v9x n GLY 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1v9x s ALA 94 N -2.11 3.63 0.00 4.61 0.00 -1.05 -4.26 121.76 122.58 1v9x s ALA 94 Ca 0.00 1.05 0.00 0.00 0.00 0.00 0.00 51.96 53.01 1v9x s ALA 94 Cb 0.00 -3.64 0.00 0.00 0.00 0.00 0.00 23.12 19.48 1v9x s ALA 94 CO 0.00 -0.97 0.00 0.41 0.00 0.00 0.00 175.76 175.20 1v9x n GLY 95 N 3.79 0.81 3.79 0.00 0.00 -1.26 -4.38 105.19 107.94 1v9x n GLY 95 Ca 0.14 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.78 1v9x n GLY 95 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1v9x s SER 96 N -0.99 7.29 -0.25 1.61 0.01 -1.26 -4.50 113.70 115.62 1v9x s SER 96 Ca 0.00 1.65 -0.16 0.00 1.31 0.00 0.00 55.95 58.75 1v9x s SER 96 Cb 0.00 -2.50 -0.12 0.00 0.21 0.00 0.00 66.02 63.60 1v9x s SER 96 CO 0.00 0.08 -0.23 0.59 0.41 0.00 0.00 173.24 174.09 1v9x n ASN 97 N 1.05 1.93 -0.18 2.44 4.13 -1.26 -4.61 115.26 118.76 1v9x n ASN 97 Ca -0.02 0.37 -0.09 0.00 1.68 0.00 0.00 54.58 56.52 1v9x n ASN 97 Cb 0.50 -0.84 -0.07 0.00 -1.54 0.00 0.00 39.78 37.83 1v9x n ASN 97 CO 0.00 0.00 0.00 0.74 0.28 0.00 0.00 177.26 178.28 1v9x h THR 98 N -1.00 0.00 -0.55 3.41 2.02 -1.98 -3.22 112.91 111.60 1v9x h THR 98 Ca -0.51 0.00 -0.28 0.00 0.77 0.00 0.00 66.41 66.39 1v9x h THR 98 Cb 1.42 0.00 -0.04 0.00 -1.74 0.00 0.00 68.15 67.80 1v9x h THR 98 CO -0.31 0.00 0.80 -0.55 0.37 0.00 0.00 175.52 175.83 1v9x s SER 99 N -4.48 4.90 -0.60 4.18 0.15 -1.26 -4.88 113.70 111.71 1v9x s SER 99 Ca -0.09 -1.09 -0.26 0.00 0.70 0.00 0.00 55.95 55.21 1v9x s SER 99 Cb 0.06 -2.57 -0.07 0.00 -1.71 0.00 0.00 66.02 61.73 1v9x s SER 99 CO 0.42 -3.09 2.26 0.42 1.20 0.00 0.00 173.24 174.44 1v9x s THR 100 N 11.24 3.11 -0.97 6.45 -4.23 -1.22 -4.88 115.64 125.14 1v9x s THR 100 Ca 0.71 0.02 -0.23 0.00 -1.18 0.00 0.00 61.69 61.01 1v9x s THR 100 Cb -0.04 -3.29 0.05 0.00 1.34 0.00 0.00 72.50 70.56 1v9x s THR 100 CO 0.07 -0.28 1.39 -0.44 -0.54 0.00 0.00 174.62 174.83 1v9x s SER 101 N 10.79 6.46 0.25 3.99 0.01 -1.26 -4.98 113.70 128.96 1v9x s SER 101 Ca 0.88 -1.34 -0.31 0.00 1.31 0.00 0.00 55.95 56.49 1v9x s SER 101 Cb -0.15 -2.55 -0.13 0.00 0.21 0.00 0.00 66.02 63.40 1v9x s SER 101 CO 0.20 -1.52 1.48 0.41 0.41 0.00 0.00 173.24 174.22 1v9x n THR 102 N 6.70 0.91 0.00 1.44 -1.04 -1.26 -4.89 114.28 116.14 1v9x n THR 102 Ca 0.28 -0.23 0.00 0.00 -2.04 0.00 0.00 64.05 62.06 1v9x n THR 102 Cb 0.50 -1.64 0.00 0.00 -1.82 0.00 0.00 70.33 67.37 1v9x n THR 102 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1v9x n GLY 103 N 2.25 3.69 3.86 3.41 0.00 -1.26 -5.13 105.19 112.01 1v9x n GLY 103 Ca 0.11 -1.35 -0.32 0.00 0.00 0.00 0.00 46.02 44.46 1v9x n GLY 103 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1v9x s THR 104 N -2.00 4.79 0.56 2.61 -4.23 -1.26 -5.05 115.64 111.06 1v9x s THR 104 Ca 0.00 0.72 -0.20 0.00 -1.18 0.00 0.00 61.69 61.03 1v9x s THR 104 Cb 0.00 -3.63 -0.04 0.00 1.34 0.00 0.00 72.50 70.17 1v9x s THR 104 CO 0.00 -0.18 1.23 -0.44 -0.54 0.00 0.00 174.62 174.69 1v9x s SER 105 N -2.42 5.37 0.57 3.99 0.01 -1.26 -4.95 113.70 115.01 1v9x s SER 105 Ca 0.51 2.46 -0.21 0.00 1.31 0.00 0.00 55.95 60.02 1v9x s SER 105 Cb -0.11 -2.61 -0.05 0.00 0.21 0.00 0.00 66.02 63.47 1v9x s SER 105 CO 0.20 -1.47 1.23 1.07 0.41 0.00 0.00 173.24 174.68 1v9x n THR 106 N -1.28 3.88 -3.93 1.44 5.66 -1.26 -4.99 114.28 113.80 1v9x n THR 106 Ca 0.12 -0.50 -0.35 0.00 -3.05 0.00 0.00 64.05 60.27 1v9x n THR 106 Cb 0.48 -1.48 -0.13 0.00 -1.55 0.00 0.00 70.33 67.65 1v9x n THR 106 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 175.07 171.58 1v9x s SER 107 N -1.05 4.59 0.29 1.09 0.01 -1.26 -5.10 113.70 112.27 1v9x s SER 107 Ca 0.74 -0.31 0.11 0.00 1.31 0.00 0.00 55.95 57.80 1v9x s SER 107 Cb -0.42 -1.79 -0.05 0.00 0.21 0.00 0.00 66.02 63.96 1v9x s SER 107 CO 0.48 -0.00 -0.15 -0.55 0.41 0.00 0.00 173.24 173.43 1v9x s SER 108 N 1.38 3.76 0.00 2.44 0.15 -1.26 -5.05 113.70 115.12 1v9x s SER 108 Ca 0.05 -1.02 0.00 0.00 0.70 0.00 0.00 55.95 55.68 1v9x s SER 108 Cb -0.15 -0.38 0.00 0.00 -1.71 0.00 0.00 66.02 63.78 1v9x s SER 108 CO -0.00 -0.03 0.00 -1.54 1.20 0.00 0.00 173.24 172.87 1v9x n SER 109 N -0.70 1.37 -0.36 5.45 3.41 -1.26 -5.16 113.62 116.37 1v9x n SER 109 Ca -0.05 0.00 0.05 0.00 -0.26 0.00 0.00 58.87 58.61 1v9x n SER 109 Cb 0.61 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.54 1v9x n SER 109 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1v9x n GLY 110 N 2.38 -1.78 3.73 5.00 0.00 -1.26 -4.85 105.19 108.40 1v9x n GLY 110 Ca 0.00 -1.42 -0.42 0.00 0.00 0.00 0.00 46.02 44.18 1v9x n GLY 110 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1v9x s PRO 111 N -1.83 4.36 0.27 1.61 0.04 -1.26 -5.01 135.00 133.19 1v9x s PRO 111 Ca 0.00 2.04 -0.27 0.00 0.04 0.00 0.00 61.00 62.82 1v9x s PRO 111 Cb 0.00 -3.23 -0.09 0.00 0.04 0.00 0.00 34.50 31.22 1v9x s PRO 111 CO 0.00 -0.34 0.90 -1.12 0.04 0.00 0.00 177.00 176.49 1v9x s SER 112 N 0.74 7.43 0.14 6.66 0.01 -1.26 -5.05 113.70 122.37 1v9x s SER 112 Ca 0.60 1.82 -0.25 0.00 1.31 0.00 0.00 55.95 59.43 1v9x s SER 112 Cb -0.36 -2.57 0.07 0.00 0.21 0.00 0.00 66.02 63.37 1v9x s SER 112 CO 0.34 0.05 1.00 -0.94 0.41 0.00 0.00 173.24 174.10 1v9x s SER 113 N -1.42 -0.15 0.00 2.44 1.04 -1.26 -5.33 113.70 109.02 1v9x s SER 113 Ca 0.45 -0.39 0.00 0.00 0.48 0.00 0.00 55.95 56.49 1v9x s SER 113 Cb -0.21 0.45 0.00 0.00 0.10 0.00 0.00 66.02 66.36 1v9x s SER 113 CO 0.27 -0.84 0.19 0.61 0.98 0.00 0.00 173.24 174.44