#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 -0.55 -3.70 1.61 3.41 -1.26 -3.98 113.62 109.14 1v9x n SER 2 Ca 0.00 1.59 -0.27 0.00 -0.26 0.00 0.00 58.87 59.93 1v9x n SER 2 Cb 0.00 -0.38 -0.17 0.00 -0.26 0.00 0.00 64.21 63.40 1v9x n SER 2 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1v9x s SER 3 N -5.31 2.71 -0.40 4.04 0.15 -1.26 -5.07 113.70 108.55 1v9x s SER 3 Ca -0.13 -0.74 0.03 0.00 0.70 0.00 0.00 55.95 55.82 1v9x s SER 3 Cb 0.19 -0.50 0.16 0.00 -1.71 0.00 0.00 66.02 64.17 1v9x s SER 3 CO 0.66 -0.31 0.34 -0.83 1.20 0.00 0.00 173.24 174.29 1v9x s GLY 4 N 1.94 0.92 -0.64 9.45 0.00 -1.26 -4.99 107.32 112.74 1v9x s GLY 4 Ca 0.00 -2.14 0.05 0.00 0.00 0.00 0.00 44.72 42.62 1v9x s GLY 4 CO -0.08 2.24 0.42 -0.56 0.00 0.00 0.00 173.10 175.12 1v9x s SER 5 N 0.37 4.51 -1.60 1.64 0.01 -1.26 -4.83 113.70 112.54 1v9x s SER 5 Ca 0.29 -3.58 -0.13 0.00 1.31 0.00 0.00 55.95 53.85 1v9x s SER 5 Cb -0.02 -1.56 0.10 0.00 0.21 0.00 0.00 66.02 64.75 1v9x s SER 5 CO -0.14 -0.13 0.68 -1.20 0.41 0.00 0.00 173.24 172.86 1v9x n SER 6 N 2.33 -2.50 -2.97 2.44 7.64 -1.26 -4.88 113.62 114.42 1v9x n SER 6 Ca 0.16 -1.00 -0.14 0.00 1.01 0.00 0.00 58.87 58.91 1v9x n SER 6 Cb 0.35 -2.91 0.02 0.00 -1.01 0.00 0.00 64.21 60.66 1v9x n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1v9x n GLY 7 N -1.62 2.10 3.61 0.23 0.00 -1.26 -5.11 105.19 103.15 1v9x n GLY 7 Ca -0.05 -0.87 -0.11 0.00 0.00 0.00 0.00 46.02 45.00 1v9x n GLY 7 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1v9x s HIS 8 N -1.04 -0.48 0.37 1.61 0.00 -1.26 -4.97 115.29 109.52 1v9x s HIS 8 Ca 0.32 1.05 -0.28 0.00 -3.00 0.00 0.00 55.06 53.15 1v9x s HIS 8 Cb 0.31 0.38 -0.10 0.00 -4.00 0.00 0.00 32.58 29.17 1v9x s HIS 8 CO -0.08 -0.30 1.40 0.15 -1.00 0.00 0.00 174.74 174.91 1v9x s LYS 9 N -0.26 4.12 0.19 -0.38 1.02 -1.26 -4.93 119.74 118.24 1v9x s LYS 9 Ca 0.01 2.40 -0.06 0.00 0.02 0.00 0.00 55.97 58.34 1v9x s LYS 9 Cb -0.03 -2.94 0.09 0.00 -0.52 0.00 0.00 37.83 34.43 1v9x s LYS 9 CO -0.02 -0.45 1.53 -1.00 -0.92 0.00 0.00 175.35 174.49 1v9x h PRO 10 N 3.01 0.73 -6.46 -1.68 0.13 -1.87 -3.44 132.00 122.41 1v9x h PRO 10 Ca -0.50 -0.38 -0.65 0.00 -0.87 0.00 0.00 66.00 63.59 1v9x h PRO 10 Cb 1.24 0.01 -0.14 0.00 0.13 0.00 0.00 31.00 32.24 1v9x h PRO 10 CO 0.64 1.00 -0.70 -1.58 -0.23 0.00 0.00 178.00 177.13 1v9x s TRP 11 N -4.29 2.83 0.09 1.56 0.52 -1.19 0.10 118.94 118.57 1v9x s TRP 11 Ca -0.09 -0.11 0.07 0.00 0.02 0.00 0.00 56.10 55.98 1v9x s TRP 11 Cb 0.12 -1.46 -0.03 0.00 -1.15 0.00 0.00 33.47 30.95 1v9x s TRP 11 CO 0.85 0.46 -0.17 -0.98 0.02 0.00 0.00 176.95 177.13 1v9x s ARG 12 N -2.34 0.97 -0.08 4.98 1.70 -0.79 -0.45 118.95 122.94 1v9x s ARG 12 Ca 0.24 -1.07 0.00 0.00 -0.47 0.00 0.00 55.73 54.42 1v9x s ARG 12 Cb -0.11 -1.07 0.02 0.00 -0.57 0.00 0.00 34.95 33.22 1v9x s ARG 12 CO 0.16 0.24 -0.05 0.00 -1.08 0.00 0.00 175.30 174.57 1v9x s ALA 13 N -1.32 1.00 -0.20 7.88 0.00 0.27 -2.21 121.76 127.18 1v9x s ALA 13 Ca 0.03 -0.31 -0.28 0.00 0.00 0.00 0.00 51.96 51.40 1v9x s ALA 13 Cb -0.09 -0.71 0.13 0.00 0.00 0.00 0.00 23.12 22.44 1v9x s ALA 13 CO 0.03 -0.27 1.02 -1.83 0.00 0.00 0.00 175.76 174.71 1v9x s GLU 14 N 1.47 0.55 -0.00 0.00 -1.05 -1.26 -4.28 118.70 114.14 1v9x s GLU 14 Ca -0.01 0.29 -0.30 0.00 -0.15 0.00 0.00 54.97 54.80 1v9x s GLU 14 Cb -0.13 0.26 -0.04 0.00 -0.44 0.00 0.00 34.13 33.78 1v9x s GLU 14 CO -0.04 -0.14 1.13 0.71 0.95 0.00 0.00 175.26 177.87 1v9x s TYR 15 N -0.64 3.43 0.53 4.83 1.51 -1.26 -3.85 117.35 121.90 1v9x s TYR 15 Ca 0.00 1.40 -0.21 0.00 -1.01 0.00 0.00 57.07 57.25 1v9x s TYR 15 Cb -0.02 -3.33 -0.06 0.00 -0.11 0.00 0.00 41.96 38.44 1v9x s TYR 15 CO -0.01 -0.89 1.11 0.00 -1.11 0.00 0.00 175.55 174.65 1v9x n ALA 16 N 4.37 0.68 -0.07 3.71 0.00 -1.03 -4.76 120.51 123.42 1v9x n ALA 16 Ca 0.09 0.11 -0.04 0.00 0.00 0.00 0.00 53.44 53.59 1v9x n ALA 16 Cb 0.48 -2.19 -0.14 0.00 0.00 0.00 0.00 19.45 17.60 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 -0.67 0.99 -3.95 0.00 4.01 -1.26 -0.80 118.16 116.48 1v9x n LYS 17 Ca 0.11 -0.05 -0.09 0.00 -0.51 0.00 0.00 58.31 57.77 1v9x n LYS 17 Cb 0.44 -1.45 -0.10 0.00 -0.51 0.00 0.00 35.03 33.41 1v9x n LYS 17 CO 0.00 0.00 0.00 0.45 -1.11 0.00 0.00 177.40 176.74 1v9x s SER 18 N -4.94 0.22 -0.19 4.39 0.15 -1.26 -4.73 113.70 107.33 1v9x s SER 18 Ca -0.08 -0.59 -0.01 0.00 0.70 0.00 0.00 55.95 55.97 1v9x s SER 18 Cb 0.07 0.21 0.12 0.00 -1.71 0.00 0.00 66.02 64.71 1v9x s SER 18 CO 0.74 -0.50 2.03 -1.20 1.20 0.00 0.00 173.24 175.51 1v9x n SER 19 N 0.76 6.02 -0.08 5.45 7.64 -1.26 -4.04 113.62 128.11 1v9x n SER 19 Ca -0.19 -2.80 -0.23 0.00 1.01 0.00 0.00 58.87 56.67 1v9x n SER 19 Cb 0.58 -1.09 -0.12 0.00 -1.01 0.00 0.00 64.21 62.57 1v9x n SER 19 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1v9x n ARG 20 N 0.83 0.64 -1.97 1.43 5.12 -1.26 -4.71 116.66 116.74 1v9x n ARG 20 Ca 0.18 0.40 -0.38 0.00 -1.93 0.00 0.00 57.85 56.12 1v9x n ARG 20 Cb 0.55 -1.68 0.02 0.00 -1.16 0.00 0.00 32.46 30.19 1v9x n ARG 20 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 1v9x s SER 21 N -6.98 5.60 -0.04 0.55 1.04 -1.26 -4.88 113.70 107.73 1v9x s SER 21 Ca -0.29 2.58 0.03 0.00 0.48 0.00 0.00 55.95 58.75 1v9x s SER 21 Cb 0.08 -2.62 0.01 0.00 0.10 0.00 0.00 66.02 63.58 1v9x s SER 21 CO 0.64 -1.33 -0.12 -0.44 0.98 0.00 0.00 173.24 172.97 1v9x s SER 22 N -1.13 1.67 0.90 7.02 0.01 -1.26 -1.27 113.70 119.65 1v9x s SER 22 Ca 0.69 -0.27 -0.12 0.00 1.31 0.00 0.00 55.95 57.56 1v9x s SER 22 Cb -0.36 -0.58 0.08 0.00 0.21 0.00 0.00 66.02 65.38 1v9x s SER 22 CO 0.42 0.08 0.83 0.00 0.41 0.00 0.00 173.24 174.98 1v9x n LYS 24 N -2.90 2.08 -0.09 0.00 4.76 -1.06 -2.80 118.16 118.16 1v9x n LYS 24 Ca 0.10 -0.01 -0.09 0.00 -2.87 0.00 0.00 58.31 55.44 1v9x n LYS 24 Cb 0.52 -1.29 0.05 0.00 -1.84 0.00 0.00 35.03 32.48 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 1.28 0.00 -0.18 2.02 -1.93 -3.30 112.91 110.80 1v9x h THR 25 Ca -0.29 -1.45 0.00 0.00 0.77 0.00 0.00 66.41 65.44 1v9x h THR 25 Cb 1.63 1.31 0.00 0.00 -1.74 0.00 0.00 68.15 69.36 1v9x h THR 25 CO 0.02 0.48 -0.75 0.00 0.37 0.00 0.00 175.52 175.64 1v9x n LYS 27 N -1.41 -5.84 -4.65 0.00 4.01 -1.12 -5.03 118.16 104.11 1v9x n LYS 27 Ca 0.00 0.70 -0.29 0.00 -0.51 0.00 0.00 58.31 58.20 1v9x n LYS 27 Cb 0.15 -5.28 -0.09 0.00 -0.51 0.00 0.00 35.03 29.30 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 -3.84 3.63 0.15 4.39 0.01 -1.22 -4.87 113.70 111.96 1v9x s SER 28 Ca 0.16 -1.59 -0.21 0.00 1.31 0.00 0.00 55.95 55.62 1v9x s SER 28 Cb -0.07 0.31 -0.08 0.00 0.21 0.00 0.00 66.02 66.39 1v9x s SER 28 CO 0.60 -0.78 0.69 -0.69 0.41 0.00 0.00 173.24 173.47 1v9x s VAL 29 N -2.96 4.56 -0.70 3.43 1.01 -1.26 0.12 120.40 124.59 1v9x s VAL 29 Ca 0.17 1.40 -0.05 0.00 0.00 0.00 0.00 61.98 63.50 1v9x s VAL 29 Cb 0.04 -3.97 0.18 0.00 0.00 0.00 0.00 36.38 32.63 1v9x s VAL 29 CO 0.09 0.43 0.55 -0.63 0.00 0.00 0.00 175.10 175.54 1v9x s ILE 30 N -1.26 4.19 0.61 2.22 1.01 -0.40 -4.80 121.20 122.78 1v9x s ILE 30 Ca 0.36 -2.97 -0.18 0.00 0.00 0.00 0.00 60.65 57.86 1v9x s ILE 30 Cb -0.20 -3.67 -0.05 0.00 0.01 0.00 0.00 42.46 38.55 1v9x s ILE 30 CO 0.22 -0.93 0.92 0.59 0.00 0.00 0.00 174.94 175.74 1v9x n ASN 31 N 3.45 0.57 -4.60 3.58 4.13 -1.26 -4.26 115.26 116.87 1v9x n ASN 31 Ca 0.11 0.78 -0.29 0.00 1.68 0.00 0.00 54.58 56.86 1v9x n ASN 31 Cb 0.40 -1.37 0.20 0.00 -1.54 0.00 0.00 39.78 37.46 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 -2.75 0.10 -1.14 3.52 -2.85 -1.26 -3.69 119.74 111.67 1v9x s LYS 32 Ca 0.76 0.91 0.00 0.00 -1.00 0.00 0.00 55.97 56.64 1v9x s LYS 32 Cb -0.41 -1.67 0.00 0.00 -2.06 0.00 0.00 37.83 33.69 1v9x s LYS 32 CO 0.47 -3.06 0.00 0.39 0.10 0.00 0.00 175.35 173.25 1v9x n GLU 33 N -4.46 -1.00 -4.64 1.78 1.02 0.02 -4.89 120.64 108.46 1v9x n GLU 33 Ca 0.06 0.68 -0.23 0.00 -0.02 0.00 0.00 57.16 57.64 1v9x n GLU 33 Cb 0.54 -4.86 -0.14 0.00 -0.02 0.00 0.00 31.44 26.96 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 -2.49 2.01 -0.49 1.62 0.01 -1.24 -4.92 114.94 109.43 1v9x s ASN 34 Ca 0.00 -0.40 -0.29 0.00 -0.71 0.00 0.00 52.86 51.47 1v9x s ASN 34 Cb 0.00 -0.19 0.03 0.00 0.41 0.00 0.00 41.25 41.50 1v9x s ASN 34 CO 0.00 0.15 1.14 0.12 -1.51 0.00 0.00 177.10 177.00 1v9x s PHE 35 N -0.61 2.80 0.40 2.20 5.36 -1.26 -2.46 117.98 124.41 1v9x s PHE 35 Ca 0.05 0.68 0.01 0.00 -0.96 0.00 0.00 56.93 56.72 1v9x s PHE 35 Cb -0.07 -4.45 0.01 0.00 -0.34 0.00 0.00 43.02 38.17 1v9x s PHE 35 CO 0.00 -1.30 0.08 2.89 -1.46 0.00 0.00 175.22 175.43 1v9x n ARG 36 N 7.90 1.01 -3.77 10.12 1.85 -1.25 -2.91 116.66 129.61 1v9x n ARG 36 Ca 0.12 -2.80 -0.15 0.00 -1.00 0.00 0.00 57.85 54.02 1v9x n ARG 36 Cb 0.49 0.64 -0.16 0.00 -1.05 0.00 0.00 32.46 32.38 1v9x n ARG 36 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 1v9x s LEU 37 N 0.00 1.06 -0.39 2.89 1.43 -0.25 -4.14 118.68 119.29 1v9x s LEU 37 Ca 0.06 0.08 -0.02 0.00 -1.03 0.00 0.00 54.13 53.22 1v9x s LEU 37 Cb -0.00 -0.00 0.10 0.00 0.03 0.00 0.00 46.19 46.32 1v9x s LEU 37 CO 0.04 -0.13 0.17 -0.83 0.23 0.00 0.00 176.35 175.83 1v9x s GLY 38 N 1.04 1.97 -0.87 -3.19 0.00 -0.94 -0.70 107.32 104.63 1v9x s GLY 38 Ca -0.09 -2.47 -0.25 0.00 0.00 0.00 0.00 44.72 41.92 1v9x s GLY 38 CO -0.03 0.99 1.69 1.25 0.00 0.00 0.00 173.10 176.99 1v9x s LYS 39 N 1.13 2.97 0.14 2.90 2.20 -0.65 -1.88 119.74 126.55 1v9x s LYS 39 Ca 0.07 -0.39 -0.31 0.00 -0.36 0.00 0.00 55.97 54.99 1v9x s LYS 39 Cb -0.22 -4.92 -0.11 0.00 -1.51 0.00 0.00 37.83 31.08 1v9x s LYS 39 CO -0.04 -2.74 1.82 -0.51 -0.36 0.00 0.00 175.35 173.52 1v9x s LEU 40 N 7.74 4.40 -0.22 5.43 1.43 0.29 -2.35 118.68 135.39 1v9x s LEU 40 Ca 0.57 2.78 0.02 0.00 -1.03 0.00 0.00 54.13 56.48 1v9x s LEU 40 Cb -0.06 -3.57 0.04 0.00 0.03 0.00 0.00 46.19 42.63 1v9x s LEU 40 CO 0.02 -1.00 -0.15 0.68 0.23 0.00 0.00 176.35 176.13 1v9x s VAL 41 N 2.49 2.07 -0.05 -1.59 -7.23 -1.10 -4.79 120.40 110.19 1v9x s VAL 41 Ca 0.80 -1.27 -0.30 0.00 -1.81 0.00 0.00 61.98 59.40 1v9x s VAL 41 Cb -0.47 -2.04 -0.05 0.00 0.56 0.00 0.00 36.38 34.38 1v9x s VAL 41 CO 0.36 0.24 1.52 -1.10 -0.31 0.00 0.00 175.10 175.81 1v9x s GLN 42 N 1.21 4.21 0.27 4.82 -0.21 -1.26 -2.29 119.66 126.42 1v9x s GLN 42 Ca -0.02 2.05 0.02 0.00 0.02 0.00 0.00 55.36 57.43 1v9x s GLN 42 Cb -0.17 -3.82 -0.04 0.00 1.00 0.00 0.00 33.01 29.98 1v9x s GLN 42 CO -0.09 -0.75 0.15 -1.12 -2.12 0.00 0.00 175.29 171.36 1v9x s SER 43 N 2.69 1.19 1.11 5.90 0.01 -1.26 -4.55 113.70 118.79 1v9x s SER 43 Ca 0.68 -1.50 -0.19 0.00 1.31 0.00 0.00 55.95 56.25 1v9x s SER 43 Cb -0.31 0.35 0.10 0.00 0.21 0.00 0.00 66.02 66.36 1v9x s SER 43 CO 0.26 -0.85 -0.08 0.35 0.41 0.00 0.00 173.24 173.33 1v9x n THR 44 N -0.50 0.00 -0.34 1.44 -2.24 -1.26 -4.34 114.28 107.04 1v9x n THR 44 Ca 0.01 -0.25 -0.02 0.00 -2.27 0.00 0.00 64.05 61.53 1v9x n THR 44 Cb 0.65 -0.55 0.03 0.00 -2.10 0.00 0.00 70.33 68.36 1v9x n THR 44 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1v9x n HIS 45 N -4.40 -0.01 -2.15 4.78 -0.00 -1.26 -2.77 115.22 109.41 1v9x n HIS 45 Ca 0.01 1.09 -0.42 0.00 -0.00 0.00 0.00 57.72 58.40 1v9x n HIS 45 Cb 0.61 -0.81 -0.03 0.00 -0.00 0.00 0.00 29.99 29.76 1v9x n HIS 45 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.34 176.28 1v9x s PHE 46 N -5.80 2.85 -1.40 4.41 0.08 -1.26 -2.75 117.98 114.11 1v9x s PHE 46 Ca -0.12 0.75 -0.08 0.00 0.12 0.00 0.00 56.93 57.59 1v9x s PHE 46 Cb 0.17 -3.73 0.01 0.00 -0.57 0.00 0.00 43.02 38.91 1v9x s PHE 46 CO 0.62 -2.72 1.09 -0.25 -0.10 0.00 0.00 175.22 173.87 1v9x n ASP 47 N 5.13 -6.35 -4.77 1.36 9.92 -1.26 -4.91 116.55 115.67 1v9x n ASP 47 Ca 0.13 -0.50 -0.39 0.00 -0.53 0.00 0.00 54.79 53.51 1v9x n ASP 47 Cb 0.43 -5.02 -0.06 0.00 -0.64 0.00 0.00 41.12 35.83 1v9x n ASP 47 CO 0.00 0.00 0.00 -0.83 0.13 0.00 0.00 177.20 176.50 1v9x s GLY 48 N -3.22 2.95 -1.26 0.44 0.00 -1.11 -3.92 107.32 101.21 1v9x s GLY 48 Ca 0.54 0.66 -0.11 0.00 0.00 0.00 0.00 44.72 45.82 1v9x s GLY 48 CO 0.67 1.17 0.65 1.39 0.00 0.00 0.00 173.10 176.98 1v9x n ILE 49 N 0.91 -4.67 -2.70 0.90 2.08 -0.97 -4.30 119.36 110.60 1v9x n ILE 49 Ca 0.00 -0.73 -0.43 0.00 0.56 0.00 0.00 62.75 62.15 1v9x n ILE 49 Cb 0.48 -3.67 -0.03 0.00 -0.75 0.00 0.00 39.64 35.67 1v9x n ILE 49 CO 0.00 0.00 0.00 -0.32 0.56 0.00 0.00 176.55 176.79 1v9x s MET 50 N -6.18 3.68 -0.69 0.38 1.75 -0.98 -4.69 119.30 112.57 1v9x s MET 50 Ca 0.24 0.45 -0.26 0.00 -1.25 0.00 0.00 55.69 54.86 1v9x s MET 50 Cb -0.09 -3.90 -0.03 0.00 2.84 0.00 0.00 34.83 33.66 1v9x s MET 50 CO 0.86 -1.27 1.89 -1.25 -0.65 0.00 0.00 175.02 174.60 1v9x s PRO 51 N 4.08 2.60 -0.70 4.11 0.04 -1.26 -2.70 135.00 141.18 1v9x s PRO 51 Ca 0.43 0.37 -0.26 0.00 0.04 0.00 0.00 61.00 61.59 1v9x s PRO 51 Cb -0.09 -4.57 -0.06 0.00 0.04 0.00 0.00 34.50 29.82 1v9x s PRO 51 CO 0.28 -2.91 2.12 -1.64 0.04 0.00 0.00 177.00 174.89 1v9x s MET 52 N 7.04 2.28 0.05 4.56 -1.94 -0.99 -4.72 119.30 125.58 1v9x s MET 52 Ca 0.68 0.52 -0.31 0.00 -1.71 0.00 0.00 55.69 54.88 1v9x s MET 52 Cb -0.11 -4.69 -0.07 0.00 2.01 0.00 0.00 34.83 31.97 1v9x s MET 52 CO 0.15 -3.38 1.41 -1.58 -0.01 0.00 0.00 175.02 171.61 1v9x s TRP 53 N 11.21 3.00 -0.21 -0.03 0.23 -1.26 -1.64 118.94 130.24 1v9x s TRP 53 Ca 0.80 0.85 -0.13 0.00 -2.03 0.00 0.00 56.10 55.59 1v9x s TRP 53 Cb -0.12 -3.68 0.06 0.00 0.03 0.00 0.00 33.47 29.76 1v9x s TRP 53 CO 0.14 -2.47 0.52 -0.80 0.96 0.00 0.00 176.95 175.29 1v9x s ASN 54 N 1.59 -0.65 0.14 2.95 0.01 0.12 -2.57 114.94 116.53 1v9x s ASN 54 Ca 0.65 1.12 -0.33 0.00 -0.71 0.00 0.00 52.86 53.58 1v9x s ASN 54 Cb -0.34 1.02 -0.17 0.00 0.41 0.00 0.00 41.25 42.18 1v9x s ASN 54 CO 0.28 -0.21 0.98 1.41 -1.51 0.00 0.00 177.10 178.06 1v9x n HIS 55 N 3.96 0.72 0.12 2.20 8.25 -1.26 -1.09 115.22 128.12 1v9x n HIS 55 Ca -0.20 0.84 0.20 0.00 -0.26 0.00 0.00 57.72 58.29 1v9x n HIS 55 Cb 0.57 -2.16 0.75 0.00 1.12 0.00 0.00 29.99 30.27 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 2.65 2.03 0.00 -1.41 0.00 -1.79 0.53 119.26 121.27 1v9x h ALA 56 Ca -0.41 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.42 1v9x h ALA 56 Cb 1.39 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.19 1v9x h ALA 56 CO 0.65 -0.61 -0.96 1.03 0.00 0.00 0.00 179.25 179.36 1v9x h SER 57 N 0.00 0.00 0.83 0.00 0.87 -1.86 -3.01 113.55 110.38 1v9x h SER 57 Ca 0.17 0.00 -0.17 0.00 -1.23 0.00 0.00 61.79 60.56 1v9x h SER 57 Cb 1.02 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.96 1v9x h SER 57 CO -0.00 0.25 -0.83 0.00 -0.53 0.00 0.00 176.83 175.72 1v9x h ILE 59 N 0.00 0.90 -0.97 0.00 1.08 -1.49 -3.28 117.51 113.75 1v9x h ILE 59 Ca -0.01 -1.79 0.18 0.00 -0.39 0.00 0.00 64.86 62.85 1v9x h ILE 59 Cb 1.47 1.81 -0.09 0.00 -3.07 0.00 0.00 36.82 36.94 1v9x h ILE 59 CO 0.11 0.30 0.61 -0.07 -0.69 0.00 0.00 178.15 178.41 1v9x h LEU 60 N -1.00 0.71 -1.71 1.44 3.38 -1.66 0.35 115.31 116.83 1v9x h LEU 60 Ca -0.08 0.07 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 1v9x h LEU 60 Cb 0.76 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.44 1v9x h LEU 60 CO -0.05 0.29 -0.18 0.07 0.09 0.00 0.00 178.44 178.67 1v9x h LYS 61 N 0.72 0.00 -7.83 1.13 2.10 -1.65 -3.44 116.57 107.60 1v9x h LYS 61 Ca 0.53 0.00 -0.45 0.00 -2.00 0.00 0.00 60.65 58.73 1v9x h LYS 61 Cb 0.88 0.00 0.16 0.00 -0.90 0.00 0.00 32.23 32.38 1v9x h LYS 61 CO -0.30 0.18 0.42 0.15 -2.00 0.00 0.00 179.45 177.90 1v9x s LYS 62 N -4.44 0.63 0.19 0.07 1.02 0.12 -5.09 119.74 112.25 1v9x s LYS 62 Ca -0.03 -0.42 0.11 0.00 0.02 0.00 0.00 55.97 55.64 1v9x s LYS 62 Cb 0.15 -1.85 -0.04 0.00 -0.52 0.00 0.00 37.83 35.57 1v9x s LYS 62 CO 0.66 -2.42 -0.19 0.99 -0.92 0.00 0.00 175.35 173.47 1v9x s THR 63 N -3.89 2.63 -1.25 2.17 2.01 -1.26 -4.68 115.64 111.36 1v9x s THR 63 Ca 0.74 -1.93 -0.02 0.00 0.31 0.00 0.00 61.69 60.79 1v9x s THR 63 Cb -0.04 -2.28 -0.01 0.00 0.01 0.00 0.00 72.50 70.19 1v9x s THR 63 CO 0.53 -0.13 0.78 0.29 -0.69 0.00 0.00 174.62 175.40 1v9x n LYS 64 N 0.15 -4.74 -0.05 4.92 5.02 -1.26 -4.94 118.16 117.26 1v9x n LYS 64 Ca -0.12 0.67 -0.09 0.00 -2.02 0.00 0.00 58.31 56.75 1v9x n LYS 64 Cb 0.56 -5.28 -0.03 0.00 -0.02 0.00 0.00 35.03 30.26 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 -4.16 0.35 -5.00 1.97 1.13 -1.26 -4.84 117.38 105.57 1v9x n GLN 65 Ca -0.27 0.14 -0.28 0.00 -1.94 0.00 0.00 57.00 54.65 1v9x n GLN 65 Cb 0.67 -1.10 -0.16 0.00 0.11 0.00 0.00 30.24 29.75 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 -2.51 1.68 -0.13 5.09 1.01 -1.26 -5.02 121.20 120.06 1v9x s ILE 66 Ca -0.20 -0.84 -0.21 0.00 0.00 0.00 0.00 60.65 59.40 1v9x s ILE 66 Cb 0.04 -1.44 -0.18 0.00 0.01 0.00 0.00 42.46 40.89 1v9x s ILE 66 CO 0.28 0.48 0.54 0.07 0.00 0.00 0.00 174.94 176.31 1v9x h LYS 67 N 6.31 0.00 -3.21 2.79 2.10 -1.80 -3.31 116.57 119.45 1v9x h LYS 67 Ca -0.30 0.00 -0.11 0.00 -2.00 0.00 0.00 60.65 58.24 1v9x h LYS 67 Cb 1.18 0.00 -0.19 0.00 -0.90 0.00 0.00 32.23 32.33 1v9x h LYS 67 CO 0.47 0.71 -0.29 0.45 -2.00 0.00 0.00 179.45 178.80 1v9x s SER 68 N -6.04 -0.13 0.59 7.07 0.15 -1.26 -4.45 113.70 109.63 1v9x s SER 68 Ca -0.14 -0.08 0.29 0.00 0.70 0.00 0.00 55.95 56.72 1v9x s SER 68 Cb -0.02 0.32 1.60 0.00 -1.71 0.00 0.00 66.02 66.21 1v9x s SER 68 CO 0.49 -0.51 2.03 -0.37 1.20 0.00 0.00 173.24 176.08 1v9x h VAL 69 N 3.62 0.43 0.00 4.45 -1.51 -1.93 0.18 116.25 121.48 1v9x h VAL 69 Ca -0.31 0.00 -0.02 0.00 -1.23 0.00 0.00 66.70 65.14 1v9x h VAL 69 Cb 1.19 0.76 -0.00 0.00 -2.13 0.00 0.00 31.29 31.11 1v9x h VAL 69 CO 0.43 0.00 -0.10 -0.78 -1.23 0.00 0.00 177.57 175.89 1v9x h ASP 70 N 0.00 0.00 1.60 4.19 3.58 -2.01 -1.40 116.42 122.37 1v9x h ASP 70 Ca 0.13 0.00 -0.06 0.00 0.42 0.00 0.00 57.03 57.51 1v9x h ASP 70 Cb 0.72 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.76 1v9x h ASP 70 CO -0.00 0.10 -0.31 0.44 -2.88 0.00 0.00 179.24 176.59 1v9x h ASP 71 N 0.00 0.00 -3.44 2.28 5.19 -1.01 -3.44 116.42 115.99 1v9x h ASP 71 Ca -0.00 0.00 -0.54 0.00 -0.62 0.00 0.00 57.03 55.87 1v9x h ASP 71 Cb 0.27 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 39.75 1v9x h ASP 71 CO 0.01 0.31 0.27 -0.69 -3.12 0.00 0.00 179.24 176.02 1v9x s VAL 72 N -3.12 4.79 0.22 -1.35 1.01 -0.53 -3.15 120.40 118.27 1v9x s VAL 72 Ca 0.05 1.85 -0.01 0.00 0.00 0.00 0.00 61.98 63.86 1v9x s VAL 72 Cb 0.07 -4.22 -0.04 0.00 0.00 0.00 0.00 36.38 32.18 1v9x s VAL 72 CO 0.71 0.26 0.42 -0.70 0.00 0.00 0.00 175.10 175.79 1v9x s GLU 73 N 0.51 3.54 -1.57 2.72 2.12 0.41 -4.20 118.70 122.23 1v9x s GLU 73 Ca 0.45 -0.28 0.00 0.00 0.36 0.00 0.00 54.97 55.51 1v9x s GLU 73 Cb -0.21 -2.80 0.00 0.00 0.26 0.00 0.00 34.13 31.38 1v9x s GLU 73 CO 0.25 0.36 0.00 0.41 -0.54 0.00 0.00 175.26 175.75 1v9x n GLY 74 N -0.72 1.40 0.22 -1.50 0.00 -1.26 0.95 105.19 104.29 1v9x n GLY 74 Ca -0.04 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.97 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 1.25 0.00 -0.61 2.10 -1.77 -2.24 117.51 116.25 1v9x h ILE 75 Ca -0.30 -1.19 0.00 0.00 1.08 0.00 0.00 64.86 64.45 1v9x h ILE 75 Cb 1.11 1.41 0.00 0.00 -1.09 0.00 0.00 36.82 38.24 1v9x h ILE 75 CO 0.44 0.37 0.00 1.05 -1.08 0.00 0.00 178.15 178.93 1v9x h GLU 76 N 0.29 0.00 0.00 2.19 4.11 -1.90 -2.22 114.58 117.05 1v9x h GLU 76 Ca 0.04 0.00 -0.05 0.00 0.07 0.00 0.00 59.36 59.42 1v9x h GLU 76 Cb 0.62 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.86 1v9x h GLU 76 CO 0.04 0.00 -0.35 1.03 0.07 0.00 0.00 179.01 179.80 1v9x h SER 77 N 0.00 0.00 -4.16 3.06 0.87 -1.75 -3.46 113.55 108.10 1v9x h SER 77 Ca 0.00 0.00 -0.51 0.00 -1.23 0.00 0.00 61.79 60.05 1v9x h SER 77 Cb 0.41 0.00 0.10 0.00 -0.44 0.00 0.00 62.40 62.47 1v9x h SER 77 CO 0.00 0.23 0.40 -0.76 -0.53 0.00 0.00 176.83 176.16 1v9x s LEU 78 N -6.22 3.50 0.47 2.23 1.43 -0.83 -4.96 118.68 114.29 1v9x s LEU 78 Ca 0.05 2.08 -0.24 0.00 -1.03 0.00 0.00 54.13 54.98 1v9x s LEU 78 Cb 0.07 -4.56 -0.08 0.00 0.03 0.00 0.00 46.19 41.64 1v9x s LEU 78 CO 0.72 -1.54 1.38 0.54 0.23 0.00 0.00 176.35 177.68 1v9x n ARG 79 N -2.07 2.06 -0.36 1.70 5.12 -1.26 -4.53 116.66 117.32 1v9x n ARG 79 Ca 0.11 0.74 -0.09 0.00 -1.93 0.00 0.00 57.85 56.68 1v9x n ARG 79 Cb 0.51 -2.57 -0.07 0.00 -1.16 0.00 0.00 32.46 29.17 1v9x n ARG 79 CO 0.00 0.00 0.00 1.87 -1.93 0.00 0.00 177.63 177.57 1v9x n TRP 80 N -0.40 -0.34 -0.34 -1.55 -0.00 -1.26 0.15 117.44 113.70 1v9x n TRP 80 Ca 0.07 1.08 0.14 0.00 -0.00 0.00 0.00 57.50 58.78 1v9x n TRP 80 Cb 0.42 -0.60 0.33 0.00 -0.00 0.00 0.00 31.31 31.46 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 0.63 0.13 5.87 4.11 -2.00 -0.96 114.58 122.36 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 0.37 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.48 1v9x h GLU 81 CO -0.82 0.42 -0.06 -0.44 0.07 0.00 0.00 179.01 178.17 1v9x h ASP 82 N 0.65 -0.15 -0.77 3.06 5.19 0.10 -2.62 116.42 121.89 1v9x h ASP 82 Ca 0.58 -0.21 0.16 0.00 -0.62 0.00 0.00 57.03 56.94 1v9x h ASP 82 Cb 0.98 0.04 -0.05 0.00 0.18 0.00 0.00 39.33 40.48 1v9x h ASP 82 CO -0.43 0.13 0.52 1.56 -3.12 0.00 0.00 179.24 177.90 1v9x h GLN 83 N -0.44 0.35 -0.45 3.56 4.20 0.32 -0.27 115.11 122.38 1v9x h GLN 83 Ca -0.02 -0.02 -0.11 0.00 0.06 0.00 0.00 58.65 58.56 1v9x h GLN 83 Cb 0.35 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.04 1v9x h GLN 83 CO 0.03 0.23 -0.15 1.96 -0.67 0.00 0.00 178.83 180.23 1v9x h GLN 84 N 0.36 0.90 -0.38 1.46 1.08 -1.01 -2.75 115.11 114.77 1v9x h GLN 84 Ca 0.38 -0.37 0.11 0.00 -1.45 0.00 0.00 58.65 57.33 1v9x h GLN 84 Cb 0.96 -0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 28.33 1v9x h GLN 84 CO -0.11 1.02 0.29 0.87 -0.95 0.00 0.00 178.83 179.95 1v9x h LYS 85 N 0.74 0.00 0.07 1.46 1.57 -0.67 0.33 116.57 120.07 1v9x h LYS 85 Ca 0.11 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.89 1v9x h LYS 85 Cb 0.71 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.02 1v9x h LYS 85 CO 0.05 0.00 -0.04 0.82 -0.57 0.00 0.00 179.45 179.72 1v9x h ILE 86 N 0.00 0.00 -0.95 1.86 1.08 -1.36 -3.06 117.51 115.08 1v9x h ILE 86 Ca 0.18 -0.25 0.13 0.00 -0.39 0.00 0.00 64.86 64.53 1v9x h ILE 86 Cb 0.76 0.00 -0.08 0.00 -3.07 0.00 0.00 36.82 34.44 1v9x h ILE 86 CO -0.00 0.00 0.60 0.08 -0.69 0.00 0.00 178.15 178.14 1v9x h ARG 87 N -0.35 0.82 0.00 2.37 0.11 -1.38 0.56 114.38 116.50 1v9x h ARG 87 Ca -0.01 -0.05 0.00 0.00 0.10 0.00 0.00 59.98 60.02 1v9x h ARG 87 Cb 0.08 -0.19 0.00 0.00 1.11 0.00 0.00 29.97 30.97 1v9x h ARG 87 CO 0.02 0.54 0.00 1.63 0.10 0.00 0.00 179.97 182.26 1v9x n LYS 88 N -4.59 0.70 -0.04 0.08 4.76 0.11 -1.58 118.16 117.61 1v9x n LYS 88 Ca 0.18 0.00 -0.05 0.00 -2.87 0.00 0.00 58.31 55.57 1v9x n LYS 88 Cb 0.41 -1.35 -0.04 0.00 -1.84 0.00 0.00 35.03 32.21 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 -0.85 0.00 0.08 2.13 9.36 0.18 -3.88 117.16 124.18 1v9x n TYR 89 Ca 0.12 0.00 -0.05 0.00 3.32 0.00 0.00 57.90 61.28 1v9x n TYR 89 Cb 0.05 -0.30 -0.06 0.00 -0.63 0.00 0.00 39.34 38.40 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 1.61 0.06 2.97 -1.51 -1.01 0.39 116.25 118.76 1v9x h VAL 90 Ca -0.18 -3.14 -0.20 0.00 -1.23 0.00 0.00 66.70 61.96 1v9x h VAL 90 Cb 1.28 2.71 0.02 0.00 -2.13 0.00 0.00 31.29 33.17 1v9x h VAL 90 CO -0.03 0.89 -0.83 -0.33 -1.23 0.00 0.00 177.57 176.04 1v9x h GLU 91 N 0.00 0.45 0.00 5.19 4.39 -1.53 -3.32 114.58 119.76 1v9x h GLU 91 Ca -0.01 -0.57 -0.06 0.00 0.34 0.00 0.00 59.36 59.06 1v9x h GLU 91 Cb 1.64 0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 30.46 1v9x h GLU 91 CO 0.12 1.22 -0.81 0.43 -1.16 0.00 0.00 179.01 178.80 1v9x n SER 92 N -4.07 1.34 -3.94 1.42 7.64 -1.25 -4.96 113.62 109.80 1v9x n SER 92 Ca -0.12 0.21 0.00 0.00 1.01 0.00 0.00 58.87 59.97 1v9x n SER 92 Cb 0.80 -0.49 0.00 0.00 -1.01 0.00 0.00 64.21 63.51 1v9x n SER 92 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1v9x n GLY 93 N 2.45 -2.96 3.55 0.23 0.00 0.13 -4.70 105.19 103.88 1v9x n GLY 93 Ca -0.12 -1.07 -0.31 0.00 0.00 0.00 0.00 46.02 44.52 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 1.75 -0.37 4.61 0.00 -0.74 -4.62 121.76 120.28 1v9x s ALA 94 Ca 0.00 -0.91 0.06 0.00 0.00 0.00 0.00 51.96 51.11 1v9x s ALA 94 Cb 0.00 -4.43 0.44 0.00 0.00 0.00 0.00 23.12 19.12 1v9x s ALA 94 CO 0.00 -4.53 1.15 0.41 0.00 0.00 0.00 175.76 172.78 1v9x n GLY 95 N 6.29 6.17 3.81 0.00 0.00 -1.25 -4.04 105.19 116.18 1v9x n GLY 95 Ca 0.33 -2.72 -0.22 0.00 0.00 0.00 0.00 46.02 43.40 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 -3.57 4.85 -0.21 1.61 0.01 -1.25 -4.65 113.70 110.50 1v9x s SER 96 Ca 0.49 -0.81 0.01 0.00 1.31 0.00 0.00 55.95 56.96 1v9x s SER 96 Cb 0.40 -0.62 0.04 0.00 0.21 0.00 0.00 66.02 66.05 1v9x s SER 96 CO -0.09 -0.53 -0.14 0.54 0.41 0.00 0.00 173.24 173.43 1v9x s ASN 97 N -4.01 3.54 -0.29 2.44 4.22 -1.26 -3.34 114.94 116.25 1v9x s ASN 97 Ca 0.44 -0.92 0.00 0.00 -2.14 0.00 0.00 52.86 50.24 1v9x s ASN 97 Cb -0.01 -1.40 0.06 0.00 1.28 0.00 0.00 41.25 41.17 1v9x s ASN 97 CO 0.25 -0.10 -0.04 0.42 -2.04 0.00 0.00 177.10 175.59 1v9x s THR 98 N 1.29 2.66 -0.47 0.54 -4.23 -1.26 -5.06 115.64 109.10 1v9x s THR 98 Ca -0.01 -1.52 -0.26 0.00 -1.18 0.00 0.00 61.69 58.72 1v9x s THR 98 Cb -0.16 -2.56 -0.06 0.00 1.34 0.00 0.00 72.50 71.07 1v9x s THR 98 CO -0.09 -0.10 2.28 -0.55 -0.54 0.00 0.00 174.62 175.62 1v9x s SER 99 N 1.20 4.72 -0.06 3.99 0.15 -1.26 -4.93 113.70 117.50 1v9x s SER 99 Ca -0.06 1.06 0.04 0.00 0.70 0.00 0.00 55.95 57.69 1v9x s SER 99 Cb -0.20 -2.51 -0.00 0.00 -1.71 0.00 0.00 66.02 61.60 1v9x s SER 99 CO -0.03 -2.67 -0.20 -0.89 1.20 0.00 0.00 173.24 170.66 1v9x s THR 100 N 11.13 1.69 -0.10 6.45 2.01 -1.26 -5.13 115.64 130.42 1v9x s THR 100 Ca 0.93 -0.84 -0.10 0.00 0.31 0.00 0.00 61.69 61.99 1v9x s THR 100 Cb -0.18 -1.46 0.03 0.00 0.01 0.00 0.00 72.50 70.90 1v9x s THR 100 CO 0.26 0.48 0.28 -0.55 -0.69 0.00 0.00 174.62 174.41 1v9x s SER 101 N 0.16 -0.29 -0.29 3.53 0.15 -1.26 -4.96 113.70 110.73 1v9x s SER 101 Ca -0.09 0.56 -0.18 0.00 0.70 0.00 0.00 55.95 56.94 1v9x s SER 101 Cb -0.14 0.58 0.17 0.00 -1.71 0.00 0.00 66.02 64.91 1v9x s SER 101 CO 0.04 -0.10 1.13 0.28 1.20 0.00 0.00 173.24 175.79 1v9x s THR 102 N 0.12 0.00 -0.36 6.45 -1.32 -1.26 -5.13 115.64 114.14 1v9x s THR 102 Ca -0.00 0.00 0.01 0.00 -1.21 0.00 0.00 61.69 60.49 1v9x s THR 102 Cb -0.02 -1.00 0.15 0.00 -1.51 0.00 0.00 72.50 70.12 1v9x s THR 102 CO 0.00 0.00 0.28 -0.83 -2.21 0.00 0.00 174.62 171.86 1v9x s GLY 103 N 0.95 0.53 -0.01 6.08 0.00 -1.26 -4.80 107.32 108.80 1v9x s GLY 103 Ca -0.05 -1.56 -0.11 0.00 0.00 0.00 0.00 44.72 43.01 1v9x s GLY 103 CO -0.12 2.34 0.22 -1.08 0.00 0.00 0.00 173.10 174.46 1v9x s THR 104 N 1.15 0.07 0.34 0.90 -1.32 -1.26 -4.74 115.64 110.78 1v9x s THR 104 Ca 0.18 -0.56 -0.14 0.00 -1.21 0.00 0.00 61.69 59.96 1v9x s THR 104 Cb -0.19 -0.50 0.03 0.00 -1.51 0.00 0.00 72.50 70.33 1v9x s THR 104 CO -0.01 -0.31 0.69 -0.94 -2.21 0.00 0.00 174.62 171.84 1v9x s SER 105 N -1.26 0.09 0.16 8.08 1.04 -1.26 -5.04 113.70 115.51 1v9x s SER 105 Ca -0.13 -1.06 0.25 0.00 0.48 0.00 0.00 55.95 55.49 1v9x s SER 105 Cb -0.06 0.76 0.53 0.00 0.10 0.00 0.00 66.02 67.35 1v9x s SER 105 CO 0.03 -1.49 1.50 0.35 0.98 0.00 0.00 173.24 174.61 1v9x n THR 106 N -0.50 0.46 -3.44 2.02 -2.24 -1.26 -4.86 114.28 104.46 1v9x n THR 106 Ca -0.05 -0.28 -0.32 0.00 -2.27 0.00 0.00 64.05 61.13 1v9x n THR 106 Cb 0.60 -0.31 -0.05 0.00 -2.10 0.00 0.00 70.33 68.47 1v9x n THR 106 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1v9x s SER 107 N -4.37 6.61 -0.01 3.42 0.01 -1.26 -5.00 113.70 113.11 1v9x s SER 107 Ca 0.08 0.89 0.14 0.00 1.31 0.00 0.00 55.95 58.36 1v9x s SER 107 Cb 0.13 -2.21 -0.19 0.00 0.21 0.00 0.00 66.02 63.96 1v9x s SER 107 CO 0.67 -0.07 0.41 -1.54 0.41 0.00 0.00 173.24 173.13 1v9x n SER 108 N -0.14 1.36 -3.67 2.44 3.41 -1.26 -5.06 113.62 110.69 1v9x n SER 108 Ca 0.00 -0.32 0.01 0.00 -0.26 0.00 0.00 58.87 58.30 1v9x n SER 108 Cb 0.52 1.39 0.00 0.00 -0.26 0.00 0.00 64.21 65.87 1v9x n SER 108 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1v9x s SER 109 N -3.08 -0.03 -0.14 4.04 1.04 -1.26 -5.08 113.70 109.18 1v9x s SER 109 Ca -0.01 -0.24 -0.21 0.00 0.48 0.00 0.00 55.95 55.97 1v9x s SER 109 Cb 0.09 0.21 0.05 0.00 0.10 0.00 0.00 66.02 66.48 1v9x s SER 109 CO 0.57 -0.41 0.53 -0.83 0.98 0.00 0.00 173.24 174.08 1v9x s GLY 110 N -3.36 -0.40 0.00 7.32 0.00 -1.26 -5.02 107.32 104.61 1v9x s GLY 110 Ca 0.21 1.29 0.15 0.00 0.00 0.00 0.00 44.72 46.37 1v9x s GLY 110 CO -0.01 1.05 1.38 -1.55 0.00 0.00 0.00 173.10 173.97 1v9x n PRO 111 N 2.16 0.35 -3.50 2.90 -0.04 -1.26 -4.37 135.00 131.24 1v9x n PRO 111 Ca -0.16 0.07 -0.42 0.00 -0.04 0.00 0.00 63.50 62.95 1v9x n PRO 111 Cb 0.56 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.46 1v9x n PRO 111 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1v9x s SER 112 N -2.29 5.94 -0.96 3.54 0.15 -1.26 -5.01 113.70 113.81 1v9x s SER 112 Ca 0.19 -2.31 -0.14 0.00 0.70 0.00 0.00 55.95 54.39 1v9x s SER 112 Cb 0.10 -2.05 0.21 0.00 -1.71 0.00 0.00 66.02 62.57 1v9x s SER 112 CO 0.21 -0.61 0.99 -0.44 1.20 0.00 0.00 173.24 174.58 1v9x s SER 113 N 2.22 6.92 0.00 5.45 0.01 -1.26 -5.13 113.70 121.91 1v9x s SER 113 Ca 0.11 -2.84 0.21 0.00 1.31 0.00 0.00 55.95 54.74 1v9x s SER 113 Cb -0.21 -2.26 0.17 0.00 0.21 0.00 0.00 66.02 63.92 1v9x s SER 113 CO -0.03 -0.60 1.17 0.61 0.41 0.00 0.00 173.24 174.80