#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 6.80 1.13 1.61 0.01 -1.26 -5.03 113.70 116.96 1v9x s SER 2 Ca 0.00 -2.53 -0.18 0.00 1.31 0.00 0.00 55.95 54.54 1v9x s SER 2 Cb 0.00 -2.33 0.13 0.00 0.21 0.00 0.00 66.02 64.04 1v9x s SER 2 CO 0.00 -0.79 0.09 -0.24 0.41 0.00 0.00 173.24 172.71 1v9x n SER 3 N 5.28 -2.48 0.00 2.44 2.88 -1.26 -4.21 113.62 116.27 1v9x n SER 3 Ca 0.23 -0.19 0.00 0.00 -1.33 0.00 0.00 58.87 57.58 1v9x n SER 3 Cb 0.47 -0.94 0.00 0.00 -0.75 0.00 0.00 64.21 62.98 1v9x n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1v9x n GLY 4 N 2.04 2.89 3.48 0.46 0.00 -1.26 -5.04 105.19 107.76 1v9x n GLY 4 Ca 0.01 -0.78 -0.59 0.00 0.00 0.00 0.00 46.02 44.66 1v9x n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1v9x n SER 5 N 1.11 1.45 -4.33 1.61 2.88 -1.26 -4.92 113.62 110.17 1v9x n SER 5 Ca 0.00 0.79 -0.17 0.00 -1.33 0.00 0.00 58.87 58.16 1v9x n SER 5 Cb 0.00 -1.02 -0.10 0.00 -0.75 0.00 0.00 64.21 62.34 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 5.27 1.96 -0.85 -3.46 1.04 -1.26 -5.10 113.70 111.30 1v9x s SER 6 Ca 1.11 -1.17 0.00 0.00 0.48 0.00 0.00 55.95 56.38 1v9x s SER 6 Cb -1.28 -0.02 0.23 0.00 0.10 0.00 0.00 66.02 65.06 1v9x s SER 6 CO 0.65 -0.44 0.85 0.61 0.98 0.00 0.00 173.24 175.89 1v9x n GLY 7 N -0.39 4.42 3.92 7.32 0.00 -1.26 -5.06 105.19 114.15 1v9x n GLY 7 Ca -0.06 -2.65 -0.24 0.00 0.00 0.00 0.00 46.02 43.07 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 -1.85 3.40 0.68 1.61 0.09 -1.26 -5.10 115.29 112.86 1v9x s HIS 8 Ca 0.31 0.03 -0.12 0.00 -0.00 0.00 0.00 55.06 55.28 1v9x s HIS 8 Cb 0.00 -1.59 0.01 0.00 -0.00 0.00 0.00 32.58 30.99 1v9x s HIS 8 CO -0.07 0.49 1.07 0.15 -0.00 0.00 0.00 174.74 176.38 1v9x s LYS 9 N -3.52 2.89 0.17 1.40 3.01 -1.26 -4.98 119.74 117.45 1v9x s LYS 9 Ca 0.34 1.09 -0.07 0.00 -1.01 0.00 0.00 55.97 56.31 1v9x s LYS 9 Cb -0.10 -1.98 0.05 0.00 -1.01 0.00 0.00 37.83 34.79 1v9x s LYS 9 CO 0.28 -1.14 1.51 -1.00 0.51 0.00 0.00 175.35 175.51 1v9x h PRO 10 N -0.46 0.79 -6.50 -1.68 0.13 -1.87 -3.44 132.00 118.97 1v9x h PRO 10 Ca -0.45 -0.42 -0.66 0.00 -0.87 0.00 0.00 66.00 63.61 1v9x h PRO 10 Cb 1.22 0.02 -0.15 0.00 0.13 0.00 0.00 31.00 32.22 1v9x h PRO 10 CO 0.56 1.05 -0.72 -1.58 -0.23 0.00 0.00 178.00 177.08 1v9x s TRP 11 N -4.31 2.79 0.05 1.56 0.52 -0.97 -0.20 118.94 118.38 1v9x s TRP 11 Ca -0.10 -0.13 0.08 0.00 0.02 0.00 0.00 56.10 55.97 1v9x s TRP 11 Cb 0.12 -1.44 -0.03 0.00 -1.15 0.00 0.00 33.47 30.97 1v9x s TRP 11 CO 0.86 0.45 -0.23 -0.98 0.02 0.00 0.00 176.95 177.07 1v9x s ARG 12 N -2.30 1.52 -0.07 4.98 1.70 -0.34 -0.82 118.95 123.63 1v9x s ARG 12 Ca 0.23 -1.02 0.01 0.00 -0.47 0.00 0.00 55.73 54.47 1v9x s ARG 12 Cb -0.11 -1.67 0.02 0.00 -0.57 0.00 0.00 34.95 32.62 1v9x s ARG 12 CO 0.15 0.43 -0.06 0.00 -1.08 0.00 0.00 175.30 174.74 1v9x s ALA 13 N -0.82 0.95 -0.24 7.88 0.00 0.08 -2.21 121.76 127.41 1v9x s ALA 13 Ca 0.09 -0.26 -0.29 0.00 0.00 0.00 0.00 51.96 51.50 1v9x s ALA 13 Cb -0.09 -0.63 0.17 0.00 0.00 0.00 0.00 23.12 22.57 1v9x s ALA 13 CO 0.02 -0.16 1.23 -1.83 0.00 0.00 0.00 175.76 175.01 1v9x s GLU 14 N 1.24 0.26 -0.06 0.00 -1.05 -1.26 -4.19 118.70 113.64 1v9x s GLU 14 Ca -0.05 0.06 -0.30 0.00 -0.15 0.00 0.00 54.97 54.54 1v9x s GLU 14 Cb -0.14 0.12 -0.02 0.00 -0.44 0.00 0.00 34.13 33.65 1v9x s GLU 14 CO -0.02 -0.08 1.03 0.71 0.95 0.00 0.00 175.26 177.85 1v9x s TYR 15 N -1.04 3.51 0.64 4.83 2.02 -1.26 -3.74 117.35 122.32 1v9x s TYR 15 Ca 0.05 1.57 -0.17 0.00 -0.37 0.00 0.00 57.07 58.14 1v9x s TYR 15 Cb -0.01 -3.21 -0.04 0.00 -0.40 0.00 0.00 41.96 38.31 1v9x s TYR 15 CO -0.04 -0.33 0.85 0.00 -1.57 0.00 0.00 175.55 174.45 1v9x n ALA 16 N 4.68 -0.30 0.05 3.71 0.00 -0.99 -4.72 120.51 122.94 1v9x n ALA 16 Ca 0.08 -0.07 0.08 0.00 0.00 0.00 0.00 53.44 53.53 1v9x n ALA 16 Cb 0.49 -2.04 -0.12 0.00 0.00 0.00 0.00 19.45 17.77 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 -1.06 0.59 -4.07 0.00 4.76 -1.26 -1.01 118.16 116.11 1v9x n LYS 17 Ca 0.13 -0.14 -0.10 0.00 -2.87 0.00 0.00 58.31 55.33 1v9x n LYS 17 Cb 0.48 -1.38 -0.07 0.00 -1.84 0.00 0.00 35.03 32.22 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 -3.77 0.03 -0.62 4.39 0.01 -1.26 -4.73 113.70 107.75 1v9x s SER 18 Ca -0.05 -1.10 -0.01 0.00 1.31 0.00 0.00 55.95 56.10 1v9x s SER 18 Cb 0.11 0.48 0.45 0.00 0.21 0.00 0.00 66.02 67.26 1v9x s SER 18 CO 0.67 -0.98 1.91 -1.20 0.41 0.00 0.00 173.24 174.05 1v9x n SER 19 N -0.31 7.27 -0.03 2.44 7.64 -1.26 -3.20 113.62 126.18 1v9x n SER 19 Ca -0.01 -3.79 -0.19 0.00 1.01 0.00 0.00 58.87 55.89 1v9x n SER 19 Cb 0.64 -0.88 -0.14 0.00 -1.01 0.00 0.00 64.21 62.82 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 -0.87 0.72 -2.39 1.43 5.12 -1.26 -4.74 116.66 114.67 1v9x n ARG 20 Ca 0.60 0.23 -0.38 0.00 -1.93 0.00 0.00 57.85 56.37 1v9x n ARG 20 Cb 0.69 -1.66 -0.03 0.00 -1.16 0.00 0.00 32.46 30.30 1v9x n ARG 20 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 1v9x s SER 21 N -6.79 6.67 -0.05 0.55 0.15 -1.26 -4.92 113.70 108.05 1v9x s SER 21 Ca -0.24 2.25 0.04 0.00 0.70 0.00 0.00 55.95 58.70 1v9x s SER 21 Cb 0.07 -2.61 0.00 0.00 -1.71 0.00 0.00 66.02 61.78 1v9x s SER 21 CO 0.73 -0.56 -0.16 -0.44 1.20 0.00 0.00 173.24 174.01 1v9x s SER 22 N -1.23 2.09 0.89 5.45 0.01 -1.26 -0.91 113.70 118.74 1v9x s SER 22 Ca 0.56 -0.35 -0.13 0.00 1.31 0.00 0.00 55.95 57.34 1v9x s SER 22 Cb -0.28 -0.73 0.06 0.00 0.21 0.00 0.00 66.02 65.28 1v9x s SER 22 CO 0.35 0.11 0.71 0.00 0.41 0.00 0.00 173.24 174.83 1v9x n LYS 24 N -2.39 1.65 -0.01 0.00 4.76 -1.15 -2.98 118.16 118.04 1v9x n LYS 24 Ca 0.09 -0.03 -0.13 0.00 -2.87 0.00 0.00 58.31 55.38 1v9x n LYS 24 Cb 0.52 -1.33 -0.09 0.00 -1.84 0.00 0.00 35.03 32.29 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 1.30 0.00 -0.18 2.02 -1.93 -3.32 112.91 110.81 1v9x h THR 25 Ca -0.29 -0.91 0.00 0.00 0.77 0.00 0.00 66.41 65.97 1v9x h THR 25 Cb 1.61 1.88 0.00 0.00 -1.74 0.00 0.00 68.15 69.90 1v9x h THR 25 CO 0.02 0.24 -1.55 0.00 0.37 0.00 0.00 175.52 174.60 1v9x n LYS 27 N -1.93 -3.94 -4.41 0.00 4.76 -1.16 -5.04 118.16 106.44 1v9x n LYS 27 Ca -0.01 0.42 -0.30 0.00 -2.87 0.00 0.00 58.31 55.54 1v9x n LYS 27 Cb 0.44 -4.20 -0.05 0.00 -1.84 0.00 0.00 35.03 29.38 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 -3.22 4.34 0.02 4.39 0.01 -1.22 -4.85 113.70 113.17 1v9x s SER 28 Ca 0.26 -1.50 -0.15 0.00 1.31 0.00 0.00 55.95 55.86 1v9x s SER 28 Cb -0.11 0.52 -0.06 0.00 0.21 0.00 0.00 66.02 66.58 1v9x s SER 28 CO 0.37 -0.97 0.44 -0.69 0.41 0.00 0.00 173.24 172.80 1v9x s VAL 29 N -2.84 4.97 -0.75 3.43 1.01 -1.26 0.18 120.40 125.14 1v9x s VAL 29 Ca 0.16 0.90 -0.08 0.00 0.00 0.00 0.00 61.98 62.96 1v9x s VAL 29 Cb -0.00 -3.75 0.19 0.00 0.00 0.00 0.00 36.38 32.82 1v9x s VAL 29 CO 0.10 0.55 0.62 -0.63 0.00 0.00 0.00 175.10 175.74 1v9x s ILE 30 N -1.11 4.65 0.70 2.22 1.01 -0.09 -4.80 121.20 123.78 1v9x s ILE 30 Ca 0.26 -2.83 -0.16 0.00 0.00 0.00 0.00 60.65 57.91 1v9x s ILE 30 Cb -0.17 -3.93 0.01 0.00 0.01 0.00 0.00 42.46 38.38 1v9x s ILE 30 CO 0.15 -0.97 1.09 0.59 0.00 0.00 0.00 174.94 175.80 1v9x n ASN 31 N 3.59 1.01 -4.67 3.58 4.13 -1.26 -4.26 115.26 117.38 1v9x n ASN 31 Ca 0.12 0.71 -0.30 0.00 1.68 0.00 0.00 54.58 56.79 1v9x n ASN 31 Cb 0.42 -1.46 0.16 0.00 -1.54 0.00 0.00 39.78 37.36 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 -3.41 0.95 -0.65 3.52 -2.85 -1.19 -3.60 119.74 112.50 1v9x s LYS 32 Ca 0.76 1.26 0.00 0.00 -1.00 0.00 0.00 55.97 56.99 1v9x s LYS 32 Cb -0.35 -1.74 0.00 0.00 -2.06 0.00 0.00 37.83 33.68 1v9x s LYS 32 CO 0.47 -2.58 0.00 0.39 0.10 0.00 0.00 175.35 173.73 1v9x n GLU 33 N -4.17 -0.51 -4.71 1.78 1.02 -0.18 -4.90 120.64 108.97 1v9x n GLU 33 Ca 0.09 0.54 -0.25 0.00 -0.02 0.00 0.00 57.16 57.51 1v9x n GLU 33 Cb 0.53 -4.37 -0.14 0.00 -0.02 0.00 0.00 31.44 27.44 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 -2.81 2.38 -0.40 1.62 0.01 -1.24 -4.93 114.94 109.58 1v9x s ASN 34 Ca 0.00 -0.47 -0.27 0.00 -0.71 0.00 0.00 52.86 51.41 1v9x s ASN 34 Cb 0.00 -0.21 0.02 0.00 0.41 0.00 0.00 41.25 41.47 1v9x s ASN 34 CO 0.00 0.17 1.00 0.12 -1.51 0.00 0.00 177.10 176.89 1v9x s PHE 35 N -0.71 3.01 0.48 2.20 5.36 -1.26 -2.34 117.98 124.72 1v9x s PHE 35 Ca 0.07 0.78 0.02 0.00 -0.96 0.00 0.00 56.93 56.84 1v9x s PHE 35 Cb -0.08 -3.89 -0.02 0.00 -0.34 0.00 0.00 43.02 38.69 1v9x s PHE 35 CO 0.01 -0.96 0.04 -0.98 -1.46 0.00 0.00 175.22 171.87 1v9x s ARG 36 N 3.78 2.11 -0.02 10.12 1.70 -1.25 -3.06 118.95 132.33 1v9x s ARG 36 Ca 0.42 -2.33 0.02 0.00 -0.47 0.00 0.00 55.73 53.37 1v9x s ARG 36 Cb -0.11 -1.30 0.01 0.00 -0.57 0.00 0.00 34.95 32.99 1v9x s ARG 36 CO 0.22 -0.37 -0.06 -0.51 -1.08 0.00 0.00 175.30 173.50 1v9x s LEU 37 N -3.80 1.68 -0.21 -1.89 1.43 -0.33 -4.01 118.68 111.55 1v9x s LEU 37 Ca 0.12 -0.13 0.01 0.00 -1.03 0.00 0.00 54.13 53.10 1v9x s LEU 37 Cb 0.02 -0.42 0.04 0.00 0.03 0.00 0.00 46.19 45.86 1v9x s LEU 37 CO 0.07 0.02 -0.15 -0.83 0.23 0.00 0.00 176.35 175.69 1v9x s GLY 38 N 0.37 1.42 -0.40 -3.19 0.00 -0.94 -1.12 107.32 103.46 1v9x s GLY 38 Ca -0.05 -1.35 -0.27 0.00 0.00 0.00 0.00 44.72 43.04 1v9x s GLY 38 CO 0.00 0.49 1.02 1.25 0.00 0.00 0.00 173.10 175.86 1v9x s LYS 39 N 1.27 3.82 -0.56 2.90 2.20 -1.00 -1.19 119.74 127.18 1v9x s LYS 39 Ca -0.00 0.64 -0.26 0.00 -0.36 0.00 0.00 55.97 55.98 1v9x s LYS 39 Cb -0.16 -3.83 0.03 0.00 -1.51 0.00 0.00 37.83 32.36 1v9x s LYS 39 CO -0.09 -1.10 1.08 -0.51 -0.36 0.00 0.00 175.35 174.36 1v9x s LEU 40 N 3.84 3.74 -0.25 5.43 1.43 0.73 -1.87 118.68 131.73 1v9x s LEU 40 Ca 0.43 -0.06 -0.01 0.00 -1.03 0.00 0.00 54.13 53.45 1v9x s LEU 40 Cb -0.10 -3.04 0.03 0.00 0.03 0.00 0.00 46.19 43.10 1v9x s LEU 40 CO 0.23 -1.35 -0.07 0.68 0.23 0.00 0.00 176.35 176.06 1v9x s VAL 41 N 4.48 2.76 -0.56 -1.59 -7.23 -1.26 -4.82 120.40 112.18 1v9x s VAL 41 Ca 0.38 -1.11 -0.26 0.00 -1.81 0.00 0.00 61.98 59.17 1v9x s VAL 41 Cb -0.10 -2.42 0.04 0.00 0.56 0.00 0.00 36.38 34.46 1v9x s VAL 41 CO 0.23 0.17 1.06 -1.10 -0.31 0.00 0.00 175.10 175.16 1v9x s GLN 42 N 1.29 3.43 0.00 4.82 -0.21 -1.26 -4.31 119.66 123.42 1v9x s GLN 42 Ca -0.01 0.01 0.00 0.00 0.02 0.00 0.00 55.36 55.38 1v9x s GLN 42 Cb -0.17 -4.03 0.00 0.00 1.00 0.00 0.00 33.01 29.81 1v9x s GLN 42 CO -0.05 -1.57 0.00 0.43 -2.12 0.00 0.00 175.29 171.98 1v9x n SER 43 N 7.93 0.00 -0.25 5.90 7.64 -1.26 -4.86 113.62 128.71 1v9x n SER 43 Ca 0.05 0.00 0.05 0.00 1.01 0.00 0.00 58.87 59.98 1v9x n SER 43 Cb 0.48 0.00 0.16 0.00 -1.01 0.00 0.00 64.21 63.84 1v9x n SER 43 CO 0.00 0.00 0.00 0.71 -3.01 0.00 0.00 175.04 172.74 1v9x h THR 44 N 0.00 0.37 -3.77 0.44 1.35 -1.88 -3.45 112.91 105.97 1v9x h THR 44 Ca 0.00 -0.04 -0.37 0.00 -0.55 0.00 0.00 66.41 65.45 1v9x h THR 44 Cb 0.00 0.24 0.04 0.00 -1.73 0.00 0.00 68.15 66.70 1v9x h THR 44 CO 0.00 0.02 -0.53 1.41 -0.25 0.00 0.00 175.52 176.17 1v9x n HIS 45 N -5.31 -1.60 -2.05 4.73 -0.00 -1.26 -4.91 115.22 104.83 1v9x n HIS 45 Ca 0.14 0.38 -0.34 0.00 -0.00 0.00 0.00 57.72 57.89 1v9x n HIS 45 Cb 0.47 -4.06 0.03 0.00 -0.00 0.00 0.00 29.99 26.43 1v9x n HIS 45 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.34 176.68 1v9x n PHE 46 N -4.32 3.13 -3.47 4.41 7.35 -1.26 -4.85 117.46 118.46 1v9x n PHE 46 Ca -0.13 -2.65 -0.25 0.00 -0.76 0.00 0.00 57.45 53.67 1v9x n PHE 46 Cb 0.62 -0.80 0.04 0.00 0.35 0.00 0.00 39.48 39.70 1v9x n PHE 46 CO 0.00 0.00 0.00 -0.25 -0.76 0.00 0.00 176.76 175.75 1v9x n ASP 47 N -0.57 -5.68 -3.23 -2.13 8.00 -1.26 -4.95 116.55 106.73 1v9x n ASP 47 Ca 0.49 -0.50 0.04 0.00 0.71 0.00 0.00 54.79 55.53 1v9x n ASP 47 Cb 0.46 -4.53 -0.03 0.00 -0.02 0.00 0.00 41.12 37.00 1v9x n ASP 47 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1v9x s GLY 48 N -3.06 -0.12 0.29 0.44 0.00 -1.26 -5.17 107.32 98.44 1v9x s GLY 48 Ca 0.50 3.10 -0.02 0.00 0.00 0.00 0.00 44.72 48.30 1v9x s GLY 48 CO 0.62 3.54 0.52 -0.42 0.00 0.00 0.00 173.10 177.35 1v9x s ILE 49 N 2.57 5.09 -0.61 0.90 1.01 -1.26 -4.58 121.20 124.32 1v9x s ILE 49 Ca -0.02 -0.22 -0.02 0.00 0.00 0.00 0.00 60.65 60.40 1v9x s ILE 49 Cb -0.06 -3.78 0.16 0.00 0.01 0.00 0.00 42.46 38.78 1v9x s ILE 49 CO -0.14 -0.38 0.41 -0.04 0.00 0.00 0.00 174.94 174.79 1v9x s MET 50 N -3.79 2.47 -0.32 2.79 -1.94 -1.26 -5.06 119.30 112.19 1v9x s MET 50 Ca 0.41 -2.57 -0.29 0.00 -1.71 0.00 0.00 55.69 51.54 1v9x s MET 50 Cb -0.10 -3.66 -0.01 0.00 2.01 0.00 0.00 34.83 33.06 1v9x s MET 50 CO 0.32 -1.16 1.68 -1.25 -0.01 0.00 0.00 175.02 174.60 1v9x s PRO 51 N -0.14 3.50 -0.66 2.03 0.04 -1.26 -4.35 135.00 134.15 1v9x s PRO 51 Ca 0.17 1.39 -0.26 0.00 0.04 0.00 0.00 61.00 62.34 1v9x s PRO 51 Cb -0.21 -4.12 -0.05 0.00 0.04 0.00 0.00 34.50 30.15 1v9x s PRO 51 CO -0.03 -1.66 2.09 -1.64 0.04 0.00 0.00 177.00 175.80 1v9x s MET 52 N 5.28 2.35 -0.17 4.56 -1.94 -0.78 -4.71 119.30 123.88 1v9x s MET 52 Ca 0.74 0.62 -0.29 0.00 -1.71 0.00 0.00 55.69 55.05 1v9x s MET 52 Cb -0.21 -4.62 -0.01 0.00 2.01 0.00 0.00 34.83 31.99 1v9x s MET 52 CO 0.33 -3.21 1.27 -1.58 -0.01 0.00 0.00 175.02 171.82 1v9x s TRP 53 N 10.78 2.82 -0.11 -0.03 0.23 -1.26 -2.37 118.94 129.00 1v9x s TRP 53 Ca 0.79 0.98 -0.08 0.00 -2.03 0.00 0.00 56.10 55.76 1v9x s TRP 53 Cb -0.13 -3.53 0.04 0.00 0.03 0.00 0.00 33.47 29.88 1v9x s TRP 53 CO 0.16 -1.74 0.27 -0.80 0.96 0.00 0.00 176.95 175.80 1v9x s ASN 54 N 2.05 -0.29 0.19 2.95 0.01 -0.27 -2.93 114.94 116.63 1v9x s ASN 54 Ca 0.55 0.56 -0.32 0.00 -0.71 0.00 0.00 52.86 52.95 1v9x s ASN 54 Cb -0.22 0.52 -0.16 0.00 0.41 0.00 0.00 41.25 41.81 1v9x s ASN 54 CO 0.15 -0.12 1.03 1.41 -1.51 0.00 0.00 177.10 178.06 1v9x n HIS 55 N 3.44 0.97 0.20 2.20 8.25 -1.26 -1.19 115.22 127.83 1v9x n HIS 55 Ca -0.17 0.76 0.18 0.00 -0.26 0.00 0.00 57.72 58.22 1v9x n HIS 55 Cb 0.56 -2.21 0.78 0.00 1.12 0.00 0.00 29.99 30.24 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 2.71 1.78 0.00 -1.41 0.00 -1.81 0.57 119.26 121.10 1v9x h ALA 56 Ca -0.41 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.49 1v9x h ALA 56 Cb 1.36 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.17 1v9x h ALA 56 CO 0.66 -0.50 -1.09 0.45 0.00 0.00 0.00 179.25 178.76 1v9x n SER 57 N -3.39 0.78 0.13 0.00 2.88 -1.26 -2.82 113.62 109.93 1v9x n SER 57 Ca 0.03 0.30 0.00 0.00 -1.33 0.00 0.00 58.87 57.88 1v9x n SER 57 Cb 0.50 0.57 0.05 0.00 -0.75 0.00 0.00 64.21 64.58 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 -3.34 1.54 -0.32 0.00 2.08 -0.87 -4.21 119.36 114.24 1v9x n ILE 59 Ca 0.01 -0.07 0.15 0.00 0.56 0.00 0.00 62.75 63.40 1v9x n ILE 59 Cb 0.75 -2.02 0.39 0.00 -0.75 0.00 0.00 39.64 38.00 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 -0.98 0.66 -2.20 1.39 3.38 -1.66 0.41 115.31 116.31 1v9x h LEU 60 Ca -0.39 0.08 0.02 0.00 0.09 0.00 0.00 57.88 57.69 1v9x h LEU 60 Cb 1.35 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 42.06 1v9x h LEU 60 CO -0.23 0.24 0.07 0.07 0.09 0.00 0.00 178.44 178.69 1v9x h LYS 61 N 0.65 0.00 0.00 1.13 2.10 -1.71 -3.42 116.57 115.31 1v9x h LYS 61 Ca 0.55 0.00 -0.30 0.00 -2.00 0.00 0.00 60.65 58.89 1v9x h LYS 61 Cb 1.01 0.00 0.11 0.00 -0.90 0.00 0.00 32.23 32.44 1v9x h LYS 61 CO -0.31 0.00 0.25 1.63 -2.00 0.00 0.00 179.45 179.02 1v9x n LYS 62 N -4.16 -0.70 -4.34 0.07 5.02 0.14 -5.11 118.16 109.09 1v9x n LYS 62 Ca -0.01 -1.51 -0.18 0.00 -2.02 0.00 0.00 58.31 54.59 1v9x n LYS 62 Cb 0.18 -0.85 -0.10 0.00 -0.02 0.00 0.00 35.03 34.24 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 -2.83 1.54 -1.33 -0.18 2.01 -1.26 -4.82 115.64 108.77 1v9x s THR 63 Ca 0.51 -2.15 -0.02 0.00 0.31 0.00 0.00 61.69 60.34 1v9x s THR 63 Cb -0.02 -2.10 0.01 0.00 0.01 0.00 0.00 72.50 70.41 1v9x s THR 63 CO 0.35 -0.56 0.78 0.29 -0.69 0.00 0.00 174.62 174.80 1v9x n LYS 64 N -0.38 -5.23 -0.05 4.92 5.02 -1.22 -4.91 118.16 116.31 1v9x n LYS 64 Ca -0.08 0.64 -0.11 0.00 -2.02 0.00 0.00 58.31 56.74 1v9x n LYS 64 Cb 0.61 -5.30 -0.04 0.00 -0.02 0.00 0.00 35.03 30.29 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 -4.34 0.22 -5.03 1.97 1.13 -1.26 -5.02 117.38 105.04 1v9x n GLN 65 Ca -0.24 0.10 -0.29 0.00 -1.94 0.00 0.00 57.00 54.62 1v9x n GLN 65 Cb 0.65 -0.88 -0.17 0.00 0.11 0.00 0.00 30.24 29.96 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 -2.19 1.77 -0.06 5.09 1.01 -1.26 -5.03 121.20 120.53 1v9x s ILE 66 Ca -0.14 -0.86 -0.20 0.00 0.00 0.00 0.00 60.65 59.44 1v9x s ILE 66 Cb 0.06 -1.54 -0.31 0.00 0.01 0.00 0.00 42.46 40.68 1v9x s ILE 66 CO 0.18 0.50 0.82 0.50 0.00 0.00 0.00 174.94 176.94 1v9x h LYS 67 N 6.62 0.30 -2.36 2.79 1.63 -1.94 -3.40 116.57 120.22 1v9x h LYS 67 Ca -0.25 -0.51 -0.04 0.00 -0.85 0.00 0.00 60.65 59.00 1v9x h LYS 67 Cb 1.21 0.19 -0.16 0.00 -0.60 0.00 0.00 32.23 32.87 1v9x h LYS 67 CO 0.47 1.24 0.21 0.45 -3.45 0.00 0.00 179.45 178.38 1v9x s SER 68 N -7.02 -0.62 0.65 4.20 0.15 -1.26 -4.78 113.70 105.03 1v9x s SER 68 Ca -0.15 0.44 0.34 0.00 0.70 0.00 0.00 55.95 57.28 1v9x s SER 68 Cb 0.02 0.55 1.86 0.00 -1.71 0.00 0.00 66.02 66.74 1v9x s SER 68 CO 0.82 -0.73 2.07 -0.37 1.20 0.00 0.00 173.24 176.23 1v9x h VAL 69 N 2.61 0.08 0.00 4.45 -1.51 -1.94 0.19 116.25 120.13 1v9x h VAL 69 Ca -0.29 0.00 -0.05 0.00 -1.23 0.00 0.00 66.70 65.13 1v9x h VAL 69 Cb 1.20 0.78 -0.01 0.00 -2.13 0.00 0.00 31.29 31.14 1v9x h VAL 69 CO 0.38 0.00 -0.22 -0.78 -1.23 0.00 0.00 177.57 175.72 1v9x h ASP 70 N 0.00 0.00 0.50 4.19 1.82 -2.01 -1.76 116.42 119.15 1v9x h ASP 70 Ca 0.02 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.66 1v9x h ASP 70 Cb 0.48 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.49 1v9x h ASP 70 CO -0.00 0.22 -0.07 -0.90 -1.61 0.00 0.00 179.24 176.88 1v9x n ASP 71 N -3.68 0.24 -4.65 2.28 5.68 0.65 -4.76 116.55 112.32 1v9x n ASP 71 Ca -0.01 -0.31 -0.37 0.00 -0.50 0.00 0.00 54.79 53.59 1v9x n ASP 71 Cb 0.34 -0.17 -0.09 0.00 -1.14 0.00 0.00 41.12 40.06 1v9x n ASP 71 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 1v9x s VAL 72 N -2.57 5.28 0.53 2.12 1.01 -0.66 -2.30 120.40 123.80 1v9x s VAL 72 Ca 0.27 0.39 -0.06 0.00 0.00 0.00 0.00 61.98 62.58 1v9x s VAL 72 Cb 0.20 -3.60 -0.03 0.00 0.00 0.00 0.00 36.38 32.95 1v9x s VAL 72 CO 0.48 0.29 0.86 -0.70 0.00 0.00 0.00 175.10 176.02 1v9x s GLU 73 N 1.32 3.44 -0.67 2.72 2.12 -0.00 -3.93 118.70 123.70 1v9x s GLU 73 Ca 0.12 0.27 0.00 0.00 0.36 0.00 0.00 54.97 55.72 1v9x s GLU 73 Cb -0.14 -2.30 0.00 0.00 0.26 0.00 0.00 34.13 31.95 1v9x s GLU 73 CO 0.07 -0.37 0.00 0.41 -0.54 0.00 0.00 175.26 174.83 1v9x n GLY 74 N -2.42 0.31 0.21 -1.50 0.00 -1.26 -0.74 105.19 99.79 1v9x n GLY 74 Ca 0.02 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.14 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 0.42 0.00 -0.61 2.10 -1.76 -2.91 117.51 114.76 1v9x h ILE 75 Ca -0.14 -1.32 0.00 0.00 1.08 0.00 0.00 64.86 64.48 1v9x h ILE 75 Cb 0.63 1.98 0.00 0.00 -1.09 0.00 0.00 36.82 38.34 1v9x h ILE 75 CO 0.20 0.21 0.00 -1.84 -1.08 0.00 0.00 178.15 175.64 1v9x n GLU 76 N -3.23 0.26 0.03 2.19 0.28 -1.26 -2.99 120.64 115.93 1v9x n GLU 76 Ca 0.02 0.00 0.11 0.00 -0.16 0.00 0.00 57.16 57.13 1v9x n GLU 76 Cb 0.53 -1.50 -0.02 0.00 1.43 0.00 0.00 31.44 31.88 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 -1.37 0.56 -4.81 -1.84 2.88 -1.10 -4.94 113.62 103.00 1v9x n SER 77 Ca 0.11 -0.09 -0.31 0.00 -1.33 0.00 0.00 58.87 57.25 1v9x n SER 77 Cb 0.28 0.95 0.06 0.00 -0.75 0.00 0.00 64.21 64.75 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 -4.28 3.01 0.47 2.46 1.43 -1.16 -5.01 118.68 115.60 1v9x s LEU 78 Ca 0.01 1.60 -0.22 0.00 -1.03 0.00 0.00 54.13 54.48 1v9x s LEU 78 Cb 0.13 -4.40 -0.07 0.00 0.03 0.00 0.00 46.19 41.88 1v9x s LEU 78 CO 0.82 -1.65 1.16 -0.13 0.23 0.00 0.00 176.35 176.78 1v9x s ARG 79 N -5.04 3.70 0.17 1.70 1.81 -1.26 -4.65 118.95 115.38 1v9x s ARG 79 Ca 0.59 1.74 -0.20 0.00 -1.72 0.00 0.00 55.73 56.14 1v9x s ARG 79 Cb -0.15 -2.34 0.10 0.00 -0.45 0.00 0.00 34.95 32.11 1v9x s ARG 79 CO 0.55 -0.59 1.34 1.87 -0.68 0.00 0.00 175.30 177.78 1v9x n TRP 80 N -0.61 -0.14 -0.29 -0.53 -0.00 -1.26 0.14 117.44 114.75 1v9x n TRP 80 Ca 0.08 1.07 0.10 0.00 -0.00 0.00 0.00 57.50 58.75 1v9x n TRP 80 Cb 0.49 -0.72 0.26 0.00 -0.00 0.00 0.00 31.31 31.34 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 0.42 0.44 5.87 4.11 -2.00 -0.31 114.58 123.12 1v9x h GLU 81 Ca 0.23 -0.03 -0.02 0.00 0.07 0.00 0.00 59.36 59.62 1v9x h GLU 81 Cb 0.45 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.61 1v9x h GLU 81 CO -0.84 0.28 -0.21 -0.44 0.07 0.00 0.00 179.01 177.87 1v9x h ASP 82 N 0.44 -0.50 -0.55 3.06 5.19 0.91 -2.59 116.42 122.36 1v9x h ASP 82 Ca 0.51 -0.09 0.16 0.00 -0.62 0.00 0.00 57.03 56.99 1v9x h ASP 82 Cb 0.90 0.13 -0.02 0.00 0.18 0.00 0.00 39.33 40.52 1v9x h ASP 82 CO -0.48 -0.18 0.51 1.56 -3.12 0.00 0.00 179.24 177.53 1v9x h GLN 83 N -0.84 0.00 -0.15 3.56 4.20 -0.22 0.93 115.11 122.59 1v9x h GLN 83 Ca -0.06 0.00 -0.17 0.00 0.06 0.00 0.00 58.65 58.48 1v9x h GLN 83 Cb 0.56 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.35 1v9x h GLN 83 CO 0.10 0.00 -0.58 1.96 -0.67 0.00 0.00 178.83 179.64 1v9x h GLN 84 N 0.00 0.66 -0.16 1.46 1.08 -0.81 -2.75 115.11 114.59 1v9x h GLN 84 Ca 0.26 -0.51 0.05 0.00 -1.45 0.00 0.00 58.65 57.00 1v9x h GLN 84 Cb 1.28 0.10 -0.01 0.00 -0.05 0.00 0.00 27.48 28.80 1v9x h GLN 84 CO -0.00 1.13 0.19 0.87 -0.95 0.00 0.00 178.83 180.06 1v9x h LYS 85 N 0.33 0.00 0.00 1.46 1.57 -0.43 0.29 116.57 119.79 1v9x h LYS 85 Ca -0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1v9x h LYS 85 Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.52 1v9x h LYS 85 CO 0.12 0.00 -0.07 0.82 -0.57 0.00 0.00 179.45 179.75 1v9x h ILE 86 N 0.00 0.00 -0.98 1.86 1.08 -1.42 -3.25 117.51 114.80 1v9x h ILE 86 Ca 0.08 -0.50 0.13 0.00 -0.39 0.00 0.00 64.86 64.17 1v9x h ILE 86 Cb 0.45 0.00 -0.09 0.00 -3.07 0.00 0.00 36.82 34.11 1v9x h ILE 86 CO -0.00 0.00 0.61 0.08 -0.69 0.00 0.00 178.15 178.15 1v9x h ARG 87 N -0.50 0.91 0.00 2.37 0.11 -1.38 0.56 114.38 116.45 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 0.07 -0.21 0.00 0.00 1.11 0.00 0.00 29.97 30.95 1v9x h ARG 87 CO 0.00 0.60 0.00 1.63 0.10 0.00 0.00 179.97 182.30 1v9x n LYS 88 N -4.66 0.58 -0.06 0.08 4.76 0.10 -1.80 118.16 117.16 1v9x n LYS 88 Ca 0.19 0.00 -0.09 0.00 -2.87 0.00 0.00 58.31 55.54 1v9x n LYS 88 Cb 0.37 -1.50 -0.05 0.00 -1.84 0.00 0.00 35.03 32.01 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 -1.00 0.00 0.14 2.13 9.36 0.18 -4.17 117.16 123.79 1v9x n TYR 89 Ca 0.14 0.00 -0.01 0.00 3.32 0.00 0.00 57.90 61.35 1v9x n TYR 89 Cb 0.06 -0.44 0.17 0.00 -0.63 0.00 0.00 39.34 38.50 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 -0.07 1.44 0.00 2.97 -1.51 -0.88 -3.27 116.25 114.94 1v9x h VAL 90 Ca -0.27 -2.10 -0.04 0.00 -1.23 0.00 0.00 66.70 63.07 1v9x h VAL 90 Cb 1.38 2.13 0.00 0.00 -2.13 0.00 0.00 31.29 32.67 1v9x h VAL 90 CO -0.06 0.60 -0.14 -0.33 -1.23 0.00 0.00 177.57 176.41 1v9x h GLU 91 N 0.01 0.09 0.00 5.19 4.39 -1.60 -3.41 114.58 119.25 1v9x h GLU 91 Ca -0.01 -0.10 -0.13 0.00 0.34 0.00 0.00 59.36 59.46 1v9x h GLU 91 Cb 1.09 0.03 0.08 0.00 -0.10 0.00 0.00 28.75 29.84 1v9x h GLU 91 CO 0.08 0.88 -0.06 0.43 -1.16 0.00 0.00 179.01 179.18 1v9x n SER 92 N -4.59 -2.47 -1.50 1.42 7.64 -1.23 -4.73 113.62 108.16 1v9x n SER 92 Ca -0.10 -0.31 0.00 0.00 1.01 0.00 0.00 58.87 59.48 1v9x n SER 92 Cb 0.46 -0.42 0.00 0.00 -1.01 0.00 0.00 64.21 63.24 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 -1.58 2.49 0.01 0.23 0.00 -1.26 -4.27 105.19 100.81 1v9x n GLY 93 Ca 0.05 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.06 1v9x n GLY 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1v9x h ALA 94 N 1.02 0.00 -3.18 4.61 0.00 -1.85 -3.44 119.26 116.41 1v9x h ALA 94 Ca 0.00 -0.19 -0.63 0.00 0.00 0.00 0.00 54.91 54.09 1v9x h ALA 94 Cb 1.00 0.07 -0.41 0.00 0.00 0.00 0.00 17.79 18.44 1v9x h ALA 94 CO 0.00 0.07 -0.57 0.20 0.00 0.00 0.00 179.25 178.94 1v9x s GLY 95 N -2.67 2.77 0.27 0.00 0.00 -1.26 -3.44 107.32 102.99 1v9x s GLY 95 Ca -0.02 -3.64 -0.13 0.00 0.00 0.00 0.00 44.72 40.93 1v9x s GLY 95 CO 0.03 1.06 0.54 -1.35 0.00 0.00 0.00 173.10 173.37 1v9x s SER 96 N -0.99 0.01 0.29 1.64 1.04 -1.26 -4.78 113.70 109.65 1v9x s SER 96 Ca 0.22 -0.97 -0.02 0.00 0.48 0.00 0.00 55.95 55.66 1v9x s SER 96 Cb -0.12 0.64 -0.01 0.00 0.10 0.00 0.00 66.02 66.62 1v9x s SER 96 CO -0.11 -1.23 0.36 0.54 0.98 0.00 0.00 173.24 173.78 1v9x s ASN 97 N -3.04 0.71 -0.58 7.02 2.20 -1.26 -5.11 114.94 114.87 1v9x s ASN 97 Ca 0.21 -1.42 -0.25 0.00 -0.94 0.00 0.00 52.86 50.47 1v9x s ASN 97 Cb -0.02 0.56 0.04 0.00 -2.00 0.00 0.00 41.25 39.84 1v9x s ASN 97 CO 0.10 -1.12 1.00 0.42 -2.94 0.00 0.00 177.10 174.57 1v9x s THR 98 N -3.56 4.28 -0.23 0.54 -4.23 -1.26 -4.97 115.64 106.21 1v9x s THR 98 Ca 0.33 0.29 -0.05 0.00 -1.18 0.00 0.00 61.69 61.07 1v9x s THR 98 Cb 0.02 -4.61 0.12 0.00 1.34 0.00 0.00 72.50 69.36 1v9x s THR 98 CO 0.18 -1.25 0.45 -0.55 -0.54 0.00 0.00 174.62 172.91 1v9x s SER 99 N 3.04 -0.34 0.66 3.99 0.15 -1.26 -5.15 113.70 114.80 1v9x s SER 99 Ca 0.31 0.84 -0.16 0.00 0.70 0.00 0.00 55.95 57.64 1v9x s SER 99 Cb -0.12 1.49 -0.14 0.00 -1.71 0.00 0.00 66.02 65.54 1v9x s SER 99 CO 0.18 -0.25 -0.40 1.07 1.20 0.00 0.00 173.24 175.04 1v9x n THR 100 N 5.39 0.00 0.05 6.45 5.66 -1.26 -4.96 114.28 125.61 1v9x n THR 100 Ca -0.07 -0.45 0.00 0.00 -3.05 0.00 0.00 64.05 60.48 1v9x n THR 100 Cb 0.50 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.28 1v9x n THR 100 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 1v9x n SER 101 N 2.69 0.85 -3.65 1.09 2.88 -1.26 -5.09 113.62 111.13 1v9x n SER 101 Ca 0.03 0.15 -0.05 0.00 -1.33 0.00 0.00 58.87 57.67 1v9x n SER 101 Cb 0.46 -0.23 -0.07 0.00 -0.75 0.00 0.00 64.21 63.63 1v9x n SER 101 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1v9x s THR 102 N -1.85 -0.80 0.00 2.46 2.01 -1.26 -5.11 115.64 111.09 1v9x s THR 102 Ca 0.00 0.09 0.00 0.00 0.31 0.00 0.00 61.69 62.09 1v9x s THR 102 Cb 0.00 -0.81 0.00 0.00 0.01 0.00 0.00 72.50 71.70 1v9x s THR 102 CO 0.00 0.04 0.00 0.61 -0.69 0.00 0.00 174.62 174.58 1v9x n GLY 103 N 5.42 -0.40 0.14 4.40 0.00 -1.26 -5.07 105.19 108.41 1v9x n GLY 103 Ca -0.10 0.76 -0.16 0.00 0.00 0.00 0.00 46.02 46.52 1v9x n GLY 103 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1v9x n THR 104 N 0.00 1.23 -3.81 2.61 5.66 -1.26 -5.01 114.28 113.70 1v9x n THR 104 Ca 0.00 -0.45 -0.13 0.00 -3.05 0.00 0.00 64.05 60.42 1v9x n THR 104 Cb 0.00 -1.34 -0.14 0.00 -1.55 0.00 0.00 70.33 67.30 1v9x n THR 104 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 175.07 171.58 1v9x s SER 105 N -6.23 -0.09 0.55 1.09 0.01 -1.26 -5.15 113.70 102.62 1v9x s SER 105 Ca -0.29 0.22 -0.19 0.00 1.31 0.00 0.00 55.95 57.00 1v9x s SER 105 Cb 0.08 0.18 -0.05 0.00 0.21 0.00 0.00 66.02 66.44 1v9x s SER 105 CO 0.48 -0.07 1.09 -0.89 0.41 0.00 0.00 173.24 174.26 1v9x s THR 106 N 0.42 3.42 -0.92 1.44 2.01 -1.26 -4.91 115.64 115.83 1v9x s THR 106 Ca -0.03 0.82 -0.07 0.00 0.31 0.00 0.00 61.69 62.72 1v9x s THR 106 Cb -0.04 -3.32 -0.09 0.00 0.01 0.00 0.00 72.50 69.06 1v9x s THR 106 CO -0.02 -0.25 3.06 -1.54 -0.69 0.00 0.00 174.62 175.18 1v9x n SER 107 N -1.45 7.26 -0.24 3.53 3.41 -1.26 -4.66 113.62 120.22 1v9x n SER 107 Ca 0.10 -2.72 0.03 0.00 -0.26 0.00 0.00 58.87 56.03 1v9x n SER 107 Cb 0.52 -1.44 0.16 0.00 -0.26 0.00 0.00 64.21 63.18 1v9x n SER 107 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1v9x h SER 108 N 4.05 0.26 -3.99 4.04 0.02 -2.07 -3.31 113.55 112.56 1v9x h SER 108 Ca 0.57 0.10 -0.63 0.00 -0.84 0.00 0.00 61.79 60.99 1v9x h SER 108 Cb 0.73 0.08 -0.41 0.00 0.14 0.00 0.00 62.40 62.94 1v9x h SER 108 CO 1.13 0.12 -0.68 -0.55 -1.14 0.00 0.00 176.83 175.71 1v9x s SER 109 N -5.36 4.19 0.57 3.07 0.15 -1.26 -5.11 113.70 109.95 1v9x s SER 109 Ca -0.13 -2.72 0.00 0.00 0.70 0.00 0.00 55.95 53.80 1v9x s SER 109 Cb 0.19 -1.44 0.00 0.00 -1.71 0.00 0.00 66.02 63.06 1v9x s SER 109 CO 0.76 -0.27 0.00 0.61 1.20 0.00 0.00 173.24 175.54 1v9x n GLY 110 N 3.47 -0.78 3.77 9.45 0.00 -1.25 -5.04 105.19 114.82 1v9x n GLY 110 Ca 0.05 -1.69 -0.34 0.00 0.00 0.00 0.00 46.02 44.05 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 -1.71 3.02 0.00 1.61 0.04 -1.26 -4.99 135.00 131.70 1v9x s PRO 111 Ca 0.00 1.48 0.00 0.00 0.04 0.00 0.00 61.00 62.52 1v9x s PRO 111 Cb 0.00 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.57 1v9x s PRO 111 CO 0.00 -1.09 0.00 0.45 0.04 0.00 0.00 177.00 176.40 1v9x n SER 112 N -1.99 1.26 -4.51 6.66 2.88 -1.26 -4.99 113.62 111.68 1v9x n SER 112 Ca 0.11 0.00 -0.38 0.00 -1.33 0.00 0.00 58.87 57.26 1v9x n SER 112 Cb 0.52 0.00 -0.14 0.00 -0.75 0.00 0.00 64.21 63.84 1v9x n SER 112 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1v9x n SER 113 N -2.78 0.51 0.00 -3.46 7.64 -1.26 -5.36 113.62 108.90 1v9x n SER 113 Ca 0.00 -0.01 0.00 0.00 1.01 0.00 0.00 58.87 59.87 1v9x n SER 113 Cb 0.46 -1.01 0.00 0.00 -1.01 0.00 0.00 64.21 62.65 1v9x n SER 113 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64