#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d9x s SER 2 N 0.00 5.80 -0.18 1.61 0.15 -1.26 -4.98 113.70 114.85 2d9x s SER 2 Ca 0.00 0.01 -0.14 0.00 0.70 0.00 0.00 55.95 56.52 2d9x s SER 2 Cb 0.00 -2.04 -0.07 0.00 -1.71 0.00 0.00 66.02 62.20 2d9x s SER 2 CO 0.00 0.04 -0.30 -1.20 1.20 0.00 0.00 173.24 172.98 2d9x n SER 3 N 4.43 1.76 0.00 5.45 7.64 -1.26 -5.14 113.62 126.51 2d9x n SER 3 Ca -0.15 0.30 0.00 0.00 1.01 0.00 0.00 58.87 60.02 2d9x n SER 3 Cb 0.52 -0.69 0.00 0.00 -1.01 0.00 0.00 64.21 63.03 2d9x n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2d9x n GLY 4 N 1.66 -0.85 3.61 0.23 0.00 -1.26 -5.18 105.19 103.40 2d9x n GLY 4 Ca -0.26 -0.18 -0.09 0.00 0.00 0.00 0.00 46.02 45.49 2d9x n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2d9x s SER 5 N -4.00 -0.27 0.19 1.61 1.04 -1.26 -5.05 113.70 105.96 2d9x s SER 5 Ca 0.00 -0.52 -0.13 0.00 0.48 0.00 0.00 55.95 55.78 2d9x s SER 5 Cb 0.00 0.62 0.12 0.00 0.10 0.00 0.00 66.02 66.86 2d9x s SER 5 CO 0.00 -1.13 1.83 0.28 0.98 0.00 0.00 173.24 175.20 2d9x h SER 6 N 2.13 0.59 0.00 7.02 0.02 -2.09 -3.48 113.55 117.75 2d9x h SER 6 Ca -0.26 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.69 2d9x h SER 6 Cb 1.26 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 63.67 2d9x h SER 6 CO 0.33 0.42 0.00 0.61 -1.14 0.00 0.00 176.83 177.05 2d9x n GLY 7 N -1.26 4.01 2.74 -3.77 0.00 -1.26 -5.11 105.19 100.54 2d9x n GLY 7 Ca 0.05 -0.95 -0.30 0.00 0.00 0.00 0.00 46.02 44.82 2d9x n GLY 7 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2d9x s GLU 8 N -4.80 0.74 0.18 1.61 2.02 -1.26 -5.11 118.70 112.07 2d9x s GLU 8 Ca 0.00 -0.98 -0.33 0.00 0.02 0.00 0.00 54.97 53.68 2d9x s GLU 8 Cb 0.00 -2.01 -0.15 0.00 0.10 0.00 0.00 34.13 32.07 2d9x s GLU 8 CO 0.00 -0.93 1.32 0.27 0.02 0.00 0.00 175.26 175.94 2d9x n ASN 9 N 4.87 2.07 -4.77 -0.19 0.23 -1.26 -4.95 115.26 111.27 2d9x n ASN 9 Ca -0.03 1.13 -0.36 0.00 -0.53 0.00 0.00 54.58 54.78 2d9x n ASN 9 Cb 0.43 -1.31 -0.07 0.00 -2.08 0.00 0.00 39.78 36.75 2d9x n ASN 9 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 2d9x s VAL 10 N 0.08 5.34 0.16 3.53 1.01 -1.26 -4.97 120.40 124.30 2d9x s VAL 10 Ca 0.74 0.42 -0.11 0.00 0.00 0.00 0.00 61.98 63.03 2d9x s VAL 10 Cb -0.78 -3.56 0.00 0.00 0.00 0.00 0.00 36.38 32.05 2d9x s VAL 10 CO 0.49 0.46 0.32 -0.72 0.00 0.00 0.00 175.10 175.64 2d9x s TYR 11 N 0.03 0.26 0.00 5.22 -0.85 -1.26 -0.00 117.35 120.74 2d9x s TYR 11 Ca 0.15 -0.63 0.00 0.00 -0.52 0.00 0.00 57.07 56.07 2d9x s TYR 11 Cb -0.13 0.03 0.00 0.00 0.38 0.00 0.00 41.96 42.24 2d9x s TYR 11 CO 0.03 -0.73 0.00 0.41 -1.52 0.00 0.00 175.55 173.74 2d9x n GLY 12 N -0.22 2.20 3.53 5.49 0.00 -0.69 -5.01 105.19 110.51 2d9x n GLY 12 Ca -0.09 -0.73 -0.42 0.00 0.00 0.00 0.00 46.02 44.78 2d9x n GLY 12 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2d9x s TYR 13 N -2.00 2.43 0.24 1.61 1.51 -1.26 -1.47 117.35 118.41 2d9x s TYR 13 Ca 0.00 -0.11 0.07 0.00 -1.01 0.00 0.00 57.07 56.02 2d9x s TYR 13 Cb 0.00 -4.51 -0.04 0.00 -0.11 0.00 0.00 41.96 37.30 2d9x s TYR 13 CO 0.00 -1.90 0.20 -0.51 -1.11 0.00 0.00 175.55 172.23 2d9x s LEU 14 N 5.20 3.84 -0.42 -1.29 1.43 -0.23 -4.72 118.68 122.49 2d9x s LEU 14 Ca 0.33 -0.22 -0.20 0.00 -1.03 0.00 0.00 54.13 53.01 2d9x s LEU 14 Cb -0.10 -2.38 0.02 0.00 0.03 0.00 0.00 46.19 43.76 2d9x s LEU 14 CO 0.15 -0.03 0.57 -0.04 0.23 0.00 0.00 176.35 177.24 2d9x s MET 15 N -3.75 3.28 -0.18 1.70 -1.94 -1.10 -1.06 119.30 116.25 2d9x s MET 15 Ca 0.33 -0.44 -0.05 0.00 -1.71 0.00 0.00 55.69 53.82 2d9x s MET 15 Cb -0.08 -3.93 -0.03 0.00 2.01 0.00 0.00 34.83 32.80 2d9x s MET 15 CO 0.25 -0.92 -0.01 0.21 -0.01 0.00 0.00 175.02 174.54 2d9x s LYS 16 N 2.59 3.69 0.29 2.03 2.20 -0.34 -2.20 119.74 128.00 2d9x s LYS 16 Ca 0.19 -0.50 -0.29 0.00 -0.36 0.00 0.00 55.97 55.02 2d9x s LYS 16 Cb -0.15 -3.03 -0.14 0.00 -1.51 0.00 0.00 37.83 33.00 2d9x s LYS 16 CO 0.17 0.14 1.15 0.98 -0.36 0.00 0.00 175.35 177.42 2d9x n TYR 17 N 3.86 1.68 -0.01 4.03 9.36 -1.12 -2.71 117.16 132.24 2d9x n TYR 17 Ca -0.17 0.63 -0.02 0.00 3.32 0.00 0.00 57.90 61.65 2d9x n TYR 17 Cb 0.52 -2.32 -0.01 0.00 -0.63 0.00 0.00 39.34 36.90 2d9x n TYR 17 CO 0.00 0.00 0.00 -2.37 0.22 0.00 0.00 176.86 174.71 2d9x n THR 18 N 0.50 0.16 -3.69 2.97 5.66 -1.02 -4.89 114.28 113.96 2d9x n THR 18 Ca 0.09 -0.05 -0.05 0.00 -3.05 0.00 0.00 64.05 60.98 2d9x n THR 18 Cb 0.33 -0.99 -0.02 0.00 -1.55 0.00 0.00 70.33 68.10 2d9x n THR 18 CO 0.00 0.00 0.00 0.20 -3.05 0.00 0.00 175.07 172.22 2d9x s ASN 19 N -4.68 -0.25 0.00 1.09 0.01 -1.25 -4.98 114.94 104.87 2d9x s ASN 19 Ca -0.04 -0.31 -0.00 0.00 -0.71 0.00 0.00 52.86 51.80 2d9x s ASN 19 Cb 0.01 0.50 -0.00 0.00 0.41 0.00 0.00 41.25 42.17 2d9x s ASN 19 CO 0.06 -0.89 0.88 0.25 -1.51 0.00 0.00 177.10 175.88 2d9x h LEU 20 N 2.00 -0.01 -0.80 0.60 7.12 -2.00 0.66 115.31 122.87 2d9x h LEU 20 Ca -0.24 0.00 0.18 0.00 0.13 0.00 0.00 57.88 57.95 2d9x h LEU 20 Cb 1.24 0.00 -0.15 0.00 -0.53 0.00 0.00 40.66 41.23 2d9x h LEU 20 CO 0.27 -0.01 -0.08 1.62 -0.13 0.00 0.00 178.44 180.11 2d9x h VAL 21 N -0.02 0.24 0.01 1.05 3.04 -2.06 -2.86 116.25 115.66 2d9x h VAL 21 Ca -0.00 -0.02 -0.00 0.00 -1.01 0.00 0.00 66.70 65.67 2d9x h VAL 21 Cb 0.01 0.19 0.00 0.00 -2.01 0.00 0.00 31.29 29.48 2d9x h VAL 21 CO 0.00 0.01 -0.01 0.74 -1.01 0.00 0.00 177.57 177.30 2d9x h THR 22 N 0.05 0.00 0.00 3.17 2.02 -1.97 -3.49 112.91 112.69 2d9x h THR 22 Ca 0.42 -0.01 0.00 0.00 0.77 0.00 0.00 66.41 67.59 2d9x h THR 22 Cb 0.72 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.13 2d9x h THR 22 CO -0.76 0.00 0.00 0.61 0.37 0.00 0.00 175.52 175.74 2d9x n GLY 23 N 0.01 1.33 3.56 2.16 0.00 0.23 -4.97 105.19 107.51 2d9x n GLY 23 Ca -0.00 -0.98 -0.30 0.00 0.00 0.00 0.00 46.02 44.74 2d9x n GLY 23 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2d9x s TRP 24 N 0.00 2.71 0.00 1.61 0.52 -1.26 -2.43 118.94 120.09 2d9x s TRP 24 Ca 0.00 -0.17 0.01 0.00 0.02 0.00 0.00 56.10 55.96 2d9x s TRP 24 Cb 0.00 -1.44 -0.01 0.00 -1.15 0.00 0.00 33.47 30.88 2d9x s TRP 24 CO 0.00 0.40 -0.04 -0.65 0.02 0.00 0.00 176.95 176.68 2d9x s GLN 25 N -2.08 0.33 -0.01 4.98 -1.52 -1.10 -4.91 119.66 115.35 2d9x s GLN 25 Ca 0.20 -0.24 -0.30 0.00 -1.95 0.00 0.00 55.36 53.07 2d9x s GLN 25 Cb -0.11 -0.27 -0.04 0.00 -0.22 0.00 0.00 33.01 32.37 2d9x s GLN 25 CO 0.12 0.07 1.20 0.71 -0.25 0.00 0.00 175.29 177.14 2d9x s TYR 26 N -0.32 3.27 -0.02 0.91 2.02 -1.26 -1.20 117.35 120.75 2d9x s TYR 26 Ca -0.01 1.24 -0.03 0.00 -0.37 0.00 0.00 57.07 57.91 2d9x s TYR 26 Cb -0.03 -3.42 0.00 0.00 -0.40 0.00 0.00 41.96 38.11 2d9x s TYR 26 CO -0.00 -1.30 0.07 1.03 -1.57 0.00 0.00 175.55 173.78 2d9x s ARG 27 N 1.81 0.17 -0.24 -0.62 1.81 -0.23 -4.94 118.95 116.72 2d9x s ARG 27 Ca 0.57 -0.06 -0.25 0.00 -1.72 0.00 0.00 55.73 54.27 2d9x s ARG 27 Cb -0.26 0.07 -0.00 0.00 -0.45 0.00 0.00 34.95 34.31 2d9x s ARG 27 CO 0.25 -0.03 0.87 0.12 -0.68 0.00 0.00 175.30 175.83 2d9x s PHE 28 N -0.34 3.32 0.01 -0.53 5.36 0.44 -1.06 117.98 125.18 2d9x s PHE 28 Ca -0.04 1.20 0.02 0.00 -0.96 0.00 0.00 56.93 57.15 2d9x s PHE 28 Cb -0.03 -3.09 -0.04 0.00 -0.34 0.00 0.00 43.02 39.53 2d9x s PHE 28 CO 0.00 -0.40 0.01 -0.06 -1.46 0.00 0.00 175.22 173.31 2d9x s PHE 29 N 2.86 3.09 -0.23 10.12 0.40 -0.54 -0.30 117.98 133.39 2d9x s PHE 29 Ca 0.37 0.08 -0.04 0.00 -0.60 0.00 0.00 56.93 56.74 2d9x s PHE 29 Cb -0.15 -1.66 0.08 0.00 0.51 0.00 0.00 43.02 41.79 2d9x s PHE 29 CO 0.07 0.47 0.09 0.08 0.70 0.00 0.00 175.22 176.64 2d9x s VAL 30 N -1.13 0.14 0.48 -0.44 1.01 -1.04 -1.69 120.40 117.73 2d9x s VAL 30 Ca 0.21 -0.55 -0.21 0.00 0.00 0.00 0.00 61.98 61.43 2d9x s VAL 30 Cb -0.12 -0.91 -0.08 0.00 0.00 0.00 0.00 36.38 35.28 2d9x s VAL 30 CO 0.12 -0.44 1.05 -0.22 0.00 0.00 0.00 175.10 175.61 2d9x s LEU 31 N 2.01 3.87 -0.51 3.92 2.96 1.00 -3.41 118.68 128.53 2d9x s LEU 31 Ca 0.04 1.98 0.04 0.00 -0.22 0.00 0.00 54.13 55.97 2d9x s LEU 31 Cb -0.16 -4.51 0.13 0.00 0.50 0.00 0.00 46.19 42.14 2d9x s LEU 31 CO -0.19 -0.81 0.26 0.20 -1.32 0.00 0.00 176.35 174.49 2d9x s ASN 32 N -1.89 4.19 0.41 3.68 0.01 -1.17 -4.20 114.94 115.96 2d9x s ASN 32 Ca 0.67 -2.96 0.16 0.00 -0.71 0.00 0.00 52.86 50.02 2d9x s ASN 32 Cb -0.18 -1.52 0.87 0.00 0.41 0.00 0.00 41.25 40.83 2d9x s ASN 32 CO 0.22 -0.23 1.88 0.78 -1.51 0.00 0.00 177.10 178.23 2d9x h ASN 33 N 6.52 0.00 -0.06 -1.22 2.35 -1.94 1.78 115.58 123.00 2d9x h ASN 33 Ca -0.06 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.63 2d9x h ASN 33 Cb 0.89 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.27 2d9x h ASN 33 CO 0.65 0.31 -0.17 -0.08 -1.65 0.00 0.00 177.43 176.48 2d9x h GLU 34 N 0.00 0.22 0.00 0.81 4.57 -1.99 -3.39 114.58 114.80 2d9x h GLU 34 Ca -0.00 -0.16 -0.12 0.00 -1.18 0.00 0.00 59.36 57.90 2d9x h GLU 34 Cb 0.58 0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 29.18 2d9x h GLU 34 CO 0.04 0.78 -0.93 0.00 -1.18 0.00 0.00 179.01 177.72 2d9x n ALA 35 N -2.46 0.64 0.00 2.92 0.00 -1.15 -5.04 120.51 115.42 2d9x n ALA 35 Ca -0.08 -0.48 0.00 0.00 0.00 0.00 0.00 53.44 52.88 2d9x n ALA 35 Cb 0.41 -0.24 0.00 0.00 0.00 0.00 0.00 19.45 19.62 2d9x n ALA 35 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2d9x n GLY 36 N 1.52 1.80 3.27 0.00 0.00 0.60 -5.04 105.19 107.34 2d9x n GLY 36 Ca -0.20 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.49 2d9x n GLY 36 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2d9x s LEU 37 N 0.00 2.28 -0.40 0.99 1.43 -1.23 -2.90 118.68 118.85 2d9x s LEU 37 Ca 0.00 -0.48 -0.16 0.00 -1.03 0.00 0.00 54.13 52.46 2d9x s LEU 37 Cb 0.00 -1.47 0.02 0.00 0.03 0.00 0.00 46.19 44.77 2d9x s LEU 37 CO 0.00 0.17 0.40 -0.22 0.23 0.00 0.00 176.35 176.93 2d9x s LEU 38 N 0.27 4.83 0.47 1.79 2.96 -0.84 -3.03 118.68 125.13 2d9x s LEU 38 Ca -0.14 -0.63 0.07 0.00 -0.22 0.00 0.00 54.13 53.20 2d9x s LEU 38 Cb -0.17 -2.34 -0.00 0.00 0.50 0.00 0.00 46.19 44.18 2d9x s LEU 38 CO 0.07 -0.51 0.34 -1.61 -1.32 0.00 0.00 176.35 173.32 2d9x s GLU 39 N 2.03 2.34 -0.15 1.98 2.02 -1.22 -1.14 118.70 124.57 2d9x s GLU 39 Ca 0.11 -1.81 -0.24 0.00 0.02 0.00 0.00 54.97 53.04 2d9x s GLU 39 Cb -0.17 -2.16 0.06 0.00 0.10 0.00 0.00 34.13 31.96 2d9x s GLU 39 CO 0.13 -0.35 0.61 1.52 0.02 0.00 0.00 175.26 177.19 2d9x s TYR 40 N -2.63 -0.62 0.10 1.61 -0.85 -1.19 -2.49 117.35 111.28 2d9x s TYR 40 Ca 0.40 1.33 -0.01 0.00 -0.52 0.00 0.00 57.07 58.28 2d9x s TYR 40 Cb -0.01 0.28 -0.04 0.00 0.38 0.00 0.00 41.96 42.57 2d9x s TYR 40 CO 0.24 -0.43 0.01 -0.06 -1.52 0.00 0.00 175.55 173.78 2d9x s PHE 41 N -0.38 0.73 0.20 -3.49 0.40 0.59 -2.29 117.98 113.75 2d9x s PHE 41 Ca -0.05 -1.13 -0.11 0.00 -0.60 0.00 0.00 56.93 55.04 2d9x s PHE 41 Cb -0.03 -0.46 0.22 0.00 0.51 0.00 0.00 43.02 43.27 2d9x s PHE 41 CO 0.04 -0.41 1.75 0.28 0.70 0.00 0.00 175.22 177.58 2d9x h VAL 42 N 2.99 0.81 -3.79 -0.44 2.07 -1.85 0.13 116.25 116.16 2d9x h VAL 42 Ca -0.35 -0.14 -0.09 0.00 0.82 0.00 0.00 66.70 66.95 2d9x h VAL 42 Cb 1.17 0.38 -0.11 0.00 -1.52 0.00 0.00 31.29 31.21 2d9x h VAL 42 CO 0.63 0.07 -0.23 0.20 0.02 0.00 0.00 177.57 178.26 2d9x s ASN 43 N -5.40 -0.04 0.52 0.57 0.01 -1.26 -4.02 114.94 105.33 2d9x s ASN 43 Ca -0.13 -0.90 0.19 0.00 -0.71 0.00 0.00 52.86 51.31 2d9x s ASN 43 Cb 0.16 0.51 1.36 0.00 0.41 0.00 0.00 41.25 43.69 2d9x s ASN 43 CO 0.74 -1.01 2.14 -0.08 -1.51 0.00 0.00 177.10 177.38 2d9x h GLU 44 N 2.39 0.00 0.00 -0.60 4.81 -1.93 -0.10 114.58 119.14 2d9x h GLU 44 Ca -0.29 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.94 2d9x h GLU 44 Cb 1.24 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.62 2d9x h GLU 44 CO 0.42 0.04 0.00 1.96 -0.73 0.00 0.00 179.01 180.70 2d9x h GLN 45 N 0.00 0.00 -0.92 1.92 4.20 -1.99 -3.03 115.11 115.29 2d9x h GLN 45 Ca -0.00 0.00 -0.63 0.00 0.06 0.00 0.00 58.65 58.08 2d9x h GLN 45 Cb 0.07 0.00 -0.33 0.00 0.30 0.00 0.00 27.48 27.52 2d9x h GLN 45 CO 0.00 0.00 0.38 -1.13 -0.67 0.00 0.00 178.83 177.41 2d9x n SER 46 N -2.89 6.79 0.01 1.46 3.41 -0.05 -4.45 113.62 117.91 2d9x n SER 46 Ca 0.02 -3.78 0.11 0.00 -0.26 0.00 0.00 58.87 54.96 2d9x n SER 46 Cb 0.33 -0.79 -0.06 0.00 -0.26 0.00 0.00 64.21 63.43 2d9x n SER 46 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 2d9x n ARG 47 N -0.87 0.29 -0.11 4.33 1.85 -1.15 -4.40 116.66 116.61 2d9x n ARG 47 Ca 0.57 -0.04 -0.21 0.00 -1.00 0.00 0.00 57.85 57.17 2d9x n ARG 47 Cb 0.77 -1.55 -0.12 0.00 -1.05 0.00 0.00 32.46 30.51 2d9x n ARG 47 CO 0.00 0.00 0.00 -1.71 -0.01 0.00 0.00 177.63 175.91 2d9x n ASN 48 N -1.91 1.99 0.00 2.89 5.15 -1.26 -4.68 115.26 117.44 2d9x n ASN 48 Ca 0.01 0.03 0.00 0.00 -0.60 0.00 0.00 54.58 54.02 2d9x n ASN 48 Cb 0.44 -0.58 0.00 0.00 -0.53 0.00 0.00 39.78 39.11 2d9x n ASN 48 CO 0.00 0.00 0.00 1.67 1.40 0.00 0.00 177.26 180.33 2d9x n GLN 49 N -3.54 0.00 -3.65 1.20 7.27 -1.26 -4.88 117.38 112.52 2d9x n GLN 49 Ca -0.45 0.60 -0.03 0.00 0.07 0.00 0.00 57.00 57.19 2d9x n GLN 49 Cb 0.96 -1.22 -0.07 0.00 2.41 0.00 0.00 30.24 32.33 2d9x n GLN 49 CO 0.00 0.00 0.00 0.21 0.07 0.00 0.00 177.06 177.34 2d9x s LYS 50 N -1.87 0.19 0.24 3.69 2.47 -1.26 -5.15 119.74 118.05 2d9x s LYS 50 Ca 0.00 0.27 -0.30 0.00 -1.56 0.00 0.00 55.97 54.38 2d9x s LYS 50 Cb 0.00 0.07 -0.09 0.00 -1.46 0.00 0.00 37.83 36.35 2d9x s LYS 50 CO 0.00 -0.03 1.27 -1.25 0.16 0.00 0.00 175.35 175.51 2d9x s PRO 51 N 0.51 4.42 0.37 4.03 0.04 -1.26 -4.93 135.00 138.18 2d9x s PRO 51 Ca 0.00 2.05 0.15 0.00 0.04 0.00 0.00 61.00 63.24 2d9x s PRO 51 Cb -0.04 -3.17 0.73 0.00 0.04 0.00 0.00 34.50 32.06 2d9x s PRO 51 CO -0.12 -0.17 1.81 0.00 0.04 0.00 0.00 177.00 178.56 2d9x h ARG 52 N 4.67 0.00 -1.65 4.56 2.47 -1.83 -3.46 114.38 119.13 2d9x h ARG 52 Ca -0.46 0.00 0.15 0.00 -1.26 0.00 0.00 59.98 58.41 2d9x h ARG 52 Cb 1.22 0.00 -0.21 0.00 -1.65 0.00 0.00 29.97 29.33 2d9x h ARG 52 CO 0.73 0.38 0.64 0.20 0.56 0.00 0.00 179.97 182.49 2d9x s GLY 53 N -4.33 -0.28 -0.01 0.04 0.00 -1.26 -5.06 107.32 96.43 2d9x s GLY 53 Ca -0.02 1.79 0.03 0.00 0.00 0.00 0.00 44.72 46.51 2d9x s GLY 53 CO 0.71 0.76 -0.08 -0.51 0.00 0.00 0.00 173.10 173.98 2d9x s THR 54 N -1.87 0.66 -0.11 0.90 -4.23 -1.26 -3.18 115.64 106.54 2d9x s THR 54 Ca 0.04 -0.37 -0.01 0.00 -1.18 0.00 0.00 61.69 60.17 2d9x s THR 54 Cb -0.01 -0.56 0.03 0.00 1.34 0.00 0.00 72.50 73.31 2d9x s THR 54 CO -0.04 0.18 -0.06 -0.22 -0.54 0.00 0.00 174.62 173.95 2d9x s LEU 55 N -0.22 1.13 0.58 4.79 2.96 -0.29 -4.98 118.68 122.65 2d9x s LEU 55 Ca 0.03 -0.32 -0.20 0.00 -0.22 0.00 0.00 54.13 53.42 2d9x s LEU 55 Cb -0.03 -0.77 -0.04 0.00 0.50 0.00 0.00 46.19 45.85 2d9x s LEU 55 CO -0.00 -0.14 1.26 -1.10 -1.32 0.00 0.00 176.35 175.05 2d9x s GLN 56 N 1.75 3.00 -0.12 1.98 -0.21 -1.26 -1.98 119.66 122.83 2d9x s GLN 56 Ca 0.04 1.99 0.03 0.00 0.02 0.00 0.00 55.36 57.44 2d9x s GLN 56 Cb -0.13 -2.05 -0.09 0.00 1.00 0.00 0.00 33.01 31.74 2d9x s GLN 56 CO -0.08 -1.22 -0.07 1.28 -2.12 0.00 0.00 175.29 173.08 2d9x n LEU 57 N -1.39 2.19 -4.51 2.90 4.77 -1.14 -4.81 117.00 115.01 2d9x n LEU 57 Ca 0.13 -0.05 -0.30 0.00 -0.03 0.00 0.00 56.01 55.76 2d9x n LEU 57 Cb 0.48 -0.25 -0.17 0.00 -2.33 0.00 0.00 43.42 41.14 2d9x n LEU 57 CO 0.48 0.58 2.07 0.00 -1.33 0.00 0.00 177.39 179.19 2d9x n ALA 58 N -2.72 0.73 -0.17 -1.18 0.00 -1.26 0.99 120.51 116.89 2d9x n ALA 58 Ca -0.20 -0.66 0.00 0.00 0.00 0.00 0.00 53.44 52.57 2d9x n ALA 58 Cb 0.75 -2.47 0.00 0.00 0.00 0.00 0.00 19.45 17.73 2d9x n ALA 58 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2d9x n GLY 59 N 6.02 1.55 3.80 0.00 0.00 -1.21 -4.76 105.19 110.59 2d9x n GLY 59 Ca 0.64 -0.06 -0.22 0.00 0.00 0.00 0.00 46.02 46.38 2d9x n GLY 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2d9x s ALA 60 N -2.03 3.62 -0.05 4.61 0.00 0.28 -2.71 121.76 125.48 2d9x s ALA 60 Ca 0.00 -1.57 0.05 0.00 0.00 0.00 0.00 51.96 50.44 2d9x s ALA 60 Cb 0.00 -1.13 -0.01 0.00 0.00 0.00 0.00 23.12 21.98 2d9x s ALA 60 CO 0.00 0.14 -0.21 0.08 0.00 0.00 0.00 175.76 175.77 2d9x s VAL 61 N -2.25 1.73 -0.38 0.00 1.01 -1.26 -4.85 120.40 114.40 2d9x s VAL 61 Ca 0.36 -0.88 -0.09 0.00 0.00 0.00 0.00 61.98 61.36 2d9x s VAL 61 Cb -0.06 -1.48 0.04 0.00 0.00 0.00 0.00 36.38 34.88 2d9x s VAL 61 CO 0.25 0.49 0.20 -0.63 0.00 0.00 0.00 175.10 175.40 2d9x s ILE 62 N -0.04 4.30 -0.52 2.22 1.09 -1.26 -1.14 121.20 125.86 2d9x s ILE 62 Ca -0.04 -1.06 -0.02 0.00 -1.10 0.00 0.00 60.65 58.43 2d9x s ILE 62 Cb -0.13 -3.47 0.14 0.00 -1.06 0.00 0.00 42.46 37.94 2d9x s ILE 62 CO 0.03 -0.29 0.32 -0.55 -0.10 0.00 0.00 174.94 174.35 2d9x s SER 63 N 1.66 5.15 -0.20 3.58 0.15 -1.06 -4.99 113.70 117.99 2d9x s SER 63 Ca 0.01 -2.52 -0.29 0.00 0.70 0.00 0.00 55.95 53.85 2d9x s SER 63 Cb -0.20 -1.82 -0.03 0.00 -1.71 0.00 0.00 66.02 62.26 2d9x s SER 63 CO 0.05 -0.43 1.59 -2.16 1.20 0.00 0.00 173.24 173.49 2d9x s PRO 64 N 0.43 3.86 1.17 5.44 0.04 -1.26 -3.14 135.00 141.54 2d9x s PRO 64 Ca 0.13 1.71 -0.17 0.00 0.04 0.00 0.00 61.00 62.71 2d9x s PRO 64 Cb -0.22 -4.01 0.20 0.00 0.04 0.00 0.00 34.50 30.51 2d9x s PRO 64 CO -0.04 -1.21 0.39 0.43 0.04 0.00 0.00 177.00 176.61 2d9x n SER 65 N 8.20 -2.59 0.00 6.66 7.64 -1.25 -4.96 113.62 127.32 2d9x n SER 65 Ca 0.18 -0.29 0.00 0.00 1.01 0.00 0.00 58.87 59.77 2d9x n SER 65 Cb 0.45 -1.00 0.00 0.00 -1.01 0.00 0.00 64.21 62.65 2d9x n SER 65 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2d9x n ASP 66 N -2.94 1.05 0.00 6.43 9.92 -1.26 -4.87 116.55 124.89 2d9x n ASP 66 Ca 0.03 -0.25 0.00 0.00 -0.53 0.00 0.00 54.79 54.04 2d9x n ASP 66 Cb 0.56 0.72 0.00 0.00 -0.64 0.00 0.00 41.12 41.76 2d9x n ASP 66 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 2d9x n GLU 67 N -0.82 0.00 -2.67 -1.24 1.02 -1.26 -4.79 120.64 110.87 2d9x n GLU 67 Ca 0.00 0.46 -0.21 0.00 -0.02 0.00 0.00 57.16 57.39 2d9x n GLU 67 Cb 0.00 -1.33 0.04 0.00 -0.02 0.00 0.00 31.44 30.13 2d9x n GLU 67 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2d9x s ASP 68 N -2.25 5.26 0.00 1.62 1.11 -1.26 -5.05 116.67 116.10 2d9x s ASP 68 Ca 0.00 -0.08 -0.17 0.00 0.18 0.00 0.00 52.55 52.48 2d9x s ASP 68 Cb 0.00 -0.80 -0.09 0.00 1.07 0.00 0.00 42.92 43.10 2d9x s ASP 68 CO 0.00 -1.15 0.91 0.28 1.18 0.00 0.00 175.17 176.39 2d9x h SER 69 N 0.09 -0.52 -3.21 0.27 0.02 -1.95 -3.40 113.55 104.84 2d9x h SER 69 Ca -0.41 0.02 -0.65 0.00 -0.84 0.00 0.00 61.79 59.90 2d9x h SER 69 Cb 1.29 0.14 -0.16 0.00 0.14 0.00 0.00 62.40 63.81 2d9x h SER 69 CO 0.51 -0.25 0.27 -1.00 -1.14 0.00 0.00 176.83 175.21 2d9x s HIS 70 N -3.78 2.94 -0.16 3.45 3.76 -1.26 -4.82 115.29 115.41 2d9x s HIS 70 Ca -0.09 -0.34 -0.29 0.00 -0.15 0.00 0.00 55.06 54.19 2d9x s HIS 70 Cb 0.01 -3.78 0.11 0.00 1.11 0.00 0.00 32.58 30.04 2d9x s HIS 70 CO 0.27 -1.18 0.94 0.99 -0.85 0.00 0.00 174.74 174.91 2d9x s THR 71 N 3.19 0.00 -0.25 1.30 2.01 -1.26 -4.45 115.64 116.18 2d9x s THR 71 Ca 0.21 0.00 -0.29 0.00 0.31 0.00 0.00 61.69 61.93 2d9x s THR 71 Cb -0.17 -1.00 0.17 0.00 0.01 0.00 0.00 72.50 71.51 2d9x s THR 71 CO 0.15 0.00 1.24 0.72 -0.69 0.00 0.00 174.62 176.04 2d9x s PHE 72 N -0.87 -0.16 -0.05 4.92 -0.71 -1.21 -3.78 117.98 116.12 2d9x s PHE 72 Ca -0.03 0.31 0.05 0.00 -1.04 0.00 0.00 56.93 56.22 2d9x s PHE 72 Cb -0.01 0.47 -0.01 0.00 -1.21 0.00 0.00 43.02 42.26 2d9x s PHE 72 CO 0.02 -0.14 -0.21 0.95 -1.34 0.00 0.00 175.22 174.50 2d9x s THR 73 N -0.84 1.72 -0.76 -4.49 -4.23 -1.19 -2.83 115.64 103.04 2d9x s THR 73 Ca 0.05 -0.89 -0.07 0.00 -1.18 0.00 0.00 61.69 59.60 2d9x s THR 73 Cb -0.02 -1.46 0.20 0.00 1.34 0.00 0.00 72.50 72.56 2d9x s THR 73 CO -0.06 0.49 0.64 -0.69 -0.54 0.00 0.00 174.62 174.45 2d9x s VAL 74 N -0.11 4.61 0.84 2.29 1.01 -0.88 -2.56 120.40 125.59 2d9x s VAL 74 Ca -0.02 -2.92 -0.14 0.00 0.00 0.00 0.00 61.98 58.90 2d9x s VAL 74 Cb -0.12 -3.90 0.21 0.00 0.00 0.00 0.00 36.38 32.57 2d9x s VAL 74 CO 0.02 -0.97 0.48 0.59 0.00 0.00 0.00 175.10 175.22 2d9x n ASN 75 N 3.48 -3.16 -3.68 3.32 3.02 -0.29 -2.82 115.26 115.14 2d9x n ASN 75 Ca 0.13 -0.48 -0.13 0.00 -0.03 0.00 0.00 54.58 54.07 2d9x n ASN 75 Cb 0.41 -0.57 -0.08 0.00 -0.61 0.00 0.00 39.78 38.93 2d9x n ASN 75 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2d9x s ALA 76 N -2.06 -1.43 0.08 5.41 0.00 -0.25 -4.22 121.76 119.29 2d9x s ALA 76 Ca 0.37 1.68 -0.24 0.00 0.00 0.00 0.00 51.96 53.77 2d9x s ALA 76 Cb -0.07 -0.98 -0.10 0.00 0.00 0.00 0.00 23.12 21.97 2d9x s ALA 76 CO 0.31 -0.28 1.39 0.00 0.00 0.00 0.00 175.76 177.18 2d9x h ALA 77 N 5.53 -0.83 -0.90 0.00 0.00 -1.81 -1.78 119.26 119.48 2d9x h ALA 77 Ca -0.29 -0.07 0.25 0.00 0.00 0.00 0.00 54.91 54.80 2d9x h ALA 77 Cb 1.18 0.81 -0.17 0.00 0.00 0.00 0.00 17.79 19.61 2d9x h ALA 77 CO 0.16 -0.94 0.03 0.45 0.00 0.00 0.00 179.25 178.94 2d9x n SER 78 N -4.57 -0.10 0.00 0.00 2.88 -1.26 -4.71 113.62 105.86 2d9x n SER 78 Ca -0.05 1.52 0.00 0.00 -1.33 0.00 0.00 58.87 59.01 2d9x n SER 78 Cb 0.28 -0.56 0.00 0.00 -0.75 0.00 0.00 64.21 63.18 2d9x n SER 78 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2d9x n GLY 79 N -1.45 0.20 3.30 0.46 0.00 -0.67 -5.18 105.19 101.85 2d9x n GLY 79 Ca 0.21 -0.13 -0.16 0.00 0.00 0.00 0.00 46.02 45.95 2d9x n GLY 79 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2d9x s GLU 80 N 0.00 1.27 -0.06 1.61 2.12 -1.20 -4.98 118.70 117.46 2d9x s GLU 80 Ca 0.00 -1.63 -0.04 0.00 0.36 0.00 0.00 54.97 53.66 2d9x s GLU 80 Cb 0.00 -0.49 0.02 0.00 0.26 0.00 0.00 34.13 33.92 2d9x s GLU 80 CO 0.00 -0.11 0.14 -1.14 -0.54 0.00 0.00 175.26 173.60 2d9x s GLN 81 N -3.89 0.14 -0.10 4.30 0.74 -1.26 -1.08 119.66 118.50 2d9x s GLN 81 Ca 0.27 0.25 0.02 0.00 0.05 0.00 0.00 55.36 55.95 2d9x s GLN 81 Cb 0.06 -0.01 -0.01 0.00 1.10 0.00 0.00 33.01 34.15 2d9x s GLN 81 CO 0.07 -0.07 -0.17 0.71 -0.55 0.00 0.00 175.29 175.29 2d9x s TYR 82 N 0.44 2.70 -0.43 1.67 1.51 -1.13 -4.97 117.35 117.14 2d9x s TYR 82 Ca -0.03 -0.63 -0.10 0.00 -1.01 0.00 0.00 57.07 55.30 2d9x s TYR 82 Cb -0.04 -1.75 0.08 0.00 -0.11 0.00 0.00 41.96 40.14 2d9x s TYR 82 CO -0.02 -0.17 0.29 0.21 -1.11 0.00 0.00 175.55 174.75 2d9x s LYS 83 N 0.08 2.63 0.41 -0.62 2.20 -1.26 -2.08 119.74 121.10 2d9x s LYS 83 Ca -0.07 -1.49 0.06 0.00 -0.36 0.00 0.00 55.97 54.10 2d9x s LYS 83 Cb -0.15 -3.84 -0.07 0.00 -1.51 0.00 0.00 37.83 32.26 2d9x s LYS 83 CO 0.05 -1.00 0.02 -0.51 -0.36 0.00 0.00 175.35 173.55 2d9x s LEU 84 N 1.44 2.71 -0.17 5.43 1.43 -1.13 -2.79 118.68 125.60 2d9x s LEU 84 Ca 0.03 -1.40 -0.06 0.00 -1.03 0.00 0.00 54.13 51.68 2d9x s LEU 84 Cb -0.24 -0.80 0.08 0.00 0.03 0.00 0.00 46.19 45.27 2d9x s LEU 84 CO 0.02 -0.52 0.35 -0.60 0.23 0.00 0.00 176.35 175.83 2d9x s ARG 85 N -3.75 0.24 0.71 1.70 3.52 -0.93 -3.28 118.95 117.15 2d9x s ARG 85 Ca 0.32 0.87 -0.14 0.00 -0.13 0.00 0.00 55.73 56.66 2d9x s ARG 85 Cb 0.09 0.11 0.02 0.00 -1.56 0.00 0.00 34.95 33.61 2d9x s ARG 85 CO 0.16 -0.29 1.12 0.00 -0.81 0.00 0.00 175.30 175.48 2d9x s ALA 86 N 2.52 2.34 0.20 6.12 0.00 -1.26 -2.72 121.76 128.96 2d9x s ALA 86 Ca 0.00 0.51 -0.09 0.00 0.00 0.00 0.00 51.96 52.38 2d9x s ALA 86 Cb -0.12 -3.33 0.14 0.00 0.00 0.00 0.00 23.12 19.81 2d9x s ALA 86 CO -0.11 -1.52 1.80 0.00 0.00 0.00 0.00 175.76 175.93 2d9x h THR 87 N -0.37 1.24 -3.55 0.00 1.03 -1.91 -3.45 112.91 105.89 2d9x h THR 87 Ca -0.46 -0.65 -0.09 0.00 -0.01 0.00 0.00 66.41 65.19 2d9x h THR 87 Cb 1.25 0.29 -0.16 0.00 -1.07 0.00 0.00 68.15 68.46 2d9x h THR 87 CO 0.52 0.28 -0.33 1.51 -0.01 0.00 0.00 175.52 177.50 2d9x s ASP 88 N -6.15 0.00 0.35 0.00 -4.77 -1.26 -5.01 116.67 99.83 2d9x s ASP 88 Ca -0.13 -0.40 0.15 0.00 -3.30 0.00 0.00 52.55 48.87 2d9x s ASP 88 Cb 0.15 0.33 1.16 0.00 -1.09 0.00 0.00 42.92 43.47 2d9x s ASP 88 CO 0.81 -0.64 1.59 0.00 0.70 0.00 0.00 175.17 177.62 2d9x h ALA 89 N 3.11 1.87 -0.13 2.11 0.00 -1.87 0.64 119.26 125.00 2d9x h ALA 89 Ca -0.33 0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 2d9x h ALA 89 Cb 1.20 0.39 -0.01 0.00 0.00 0.00 0.00 17.79 19.37 2d9x h ALA 89 CO 0.50 -0.82 0.08 -0.22 0.00 0.00 0.00 179.25 178.79 2d9x h LYS 90 N 0.03 0.17 0.00 0.00 3.11 -1.97 -2.20 116.57 115.70 2d9x h LYS 90 Ca 0.77 -0.02 -0.02 0.00 -2.81 0.00 0.00 60.65 58.58 2d9x h LYS 90 Cb 1.92 -0.04 -0.00 0.00 -1.00 0.00 0.00 32.23 33.11 2d9x h LYS 90 CO -0.80 0.16 -0.08 1.49 -2.81 0.00 0.00 179.45 177.41 2d9x h GLU 91 N 0.14 0.00 0.20 1.90 4.81 -0.16 -2.93 114.58 118.55 2d9x h GLU 91 Ca 0.05 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.27 2d9x h GLU 91 Cb 0.03 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.41 2d9x h GLU 91 CO -0.01 0.08 -0.10 -0.09 -0.73 0.00 0.00 179.01 178.17 2d9x h ARG 92 N 0.00 -0.26 -0.95 1.92 2.43 -0.58 -2.24 114.38 114.69 2d9x h ARG 92 Ca -0.00 0.02 0.29 0.00 -0.81 0.00 0.00 59.98 59.48 2d9x h ARG 92 Cb 0.15 0.06 -0.17 0.00 -0.42 0.00 0.00 29.97 29.59 2d9x h ARG 92 CO 0.01 -0.17 0.22 -0.56 -1.51 0.00 0.00 179.97 177.96 2d9x h GLN 93 N -0.32 0.08 -0.10 0.20 3.07 -1.44 0.40 115.11 117.00 2d9x h GLN 93 Ca -0.03 -0.01 0.02 0.00 0.09 0.00 0.00 58.65 58.73 2d9x h GLN 93 Cb 0.21 -0.02 -0.02 0.00 0.08 0.00 0.00 27.48 27.73 2d9x h GLN 93 CO 0.05 0.06 -0.05 1.25 0.09 0.00 0.00 178.83 180.22 2d9x h HIS 94 N 0.09 -0.11 0.45 0.06 2.76 -1.49 -2.01 115.15 114.90 2d9x h HIS 94 Ca 0.64 0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.80 2d9x h HIS 94 Cb 1.41 0.06 0.00 0.00 1.55 0.00 0.00 27.41 30.44 2d9x h HIS 94 CO -0.30 -0.08 -0.22 -1.49 -1.30 0.00 0.00 177.93 174.54 2d9x h TRP 95 N -0.04 -0.56 -0.81 5.26 4.06 0.32 0.78 115.95 124.97 2d9x h TRP 95 Ca 0.06 -0.01 0.14 0.00 2.06 0.00 0.00 58.89 61.13 2d9x h TRP 95 Cb 0.12 0.19 -0.14 0.00 -1.00 0.00 0.00 29.16 28.33 2d9x h TRP 95 CO -0.17 -0.35 -0.28 0.28 -3.56 0.00 0.00 178.44 174.36 2d9x n VAL 96 N -3.98 -0.40 0.08 1.49 0.31 0.06 -0.29 118.33 115.59 2d9x n VAL 96 Ca -0.08 1.89 -0.03 0.00 -0.01 0.00 0.00 64.34 66.11 2d9x n VAL 96 Cb 0.24 -2.53 -0.02 0.00 -0.91 0.00 0.00 33.84 30.63 2d9x n VAL 96 CO 0.00 0.00 0.00 -1.28 -1.32 0.00 0.00 176.83 174.23 2d9x h SER 97 N 0.00 -0.18 -1.48 4.52 0.87 -1.38 -1.81 113.55 114.09 2d9x h SER 97 Ca 0.31 0.01 0.45 0.00 -1.23 0.00 0.00 61.79 61.33 2d9x h SER 97 Cb 0.52 0.05 -0.08 0.00 -0.44 0.00 0.00 62.40 62.45 2d9x h SER 97 CO -0.81 -0.07 1.05 0.54 -0.53 0.00 0.00 176.83 177.00 2d9x n ARG 98 N -2.88 -0.01 0.05 2.24 5.12 0.27 0.23 116.66 121.68 2d9x n ARG 98 Ca -0.03 0.92 -0.20 0.00 -1.93 0.00 0.00 57.85 56.61 2d9x n ARG 98 Cb 0.08 -2.03 -0.15 0.00 -1.16 0.00 0.00 32.46 29.21 2d9x n ARG 98 CO 0.00 0.00 0.00 -0.07 -1.93 0.00 0.00 177.63 175.63 2d9x h LEU 99 N 0.00 0.47 -1.51 0.55 3.38 -0.60 -3.01 115.31 114.59 2d9x h LEU 99 Ca 0.75 -0.95 0.19 0.00 0.09 0.00 0.00 57.88 57.96 2d9x h LEU 99 Cb 2.88 -0.15 -0.06 0.00 0.09 0.00 0.00 40.66 43.41 2d9x h LEU 99 CO -0.10 1.42 0.58 1.56 0.09 0.00 0.00 178.44 181.98 2d9x h GLN 100 N -0.36 0.42 0.00 1.13 4.20 0.38 0.28 115.11 121.16 2d9x h GLN 100 Ca -0.16 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.53 2d9x h GLN 100 Cb 1.66 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 29.35 2d9x h GLN 100 CO 0.15 0.28 -0.00 0.82 -0.67 0.00 0.00 178.83 179.40 2d9x h ILE 101 N 0.43 1.57 -0.67 2.54 5.03 -1.46 -1.22 117.51 123.72 2d9x h ILE 101 Ca 0.45 -1.75 0.01 0.00 -0.12 0.00 0.00 64.86 63.45 2d9x h ILE 101 Cb 1.07 2.75 -0.03 0.00 -3.03 0.00 0.00 36.82 37.58 2d9x h ILE 101 CO -0.17 0.45 0.44 0.00 -0.68 0.00 0.00 178.15 178.20 2d9x h THR 103 N 0.90 1.34 0.00 0.00 1.03 -0.55 -3.22 112.91 112.41 2d9x h THR 103 Ca 0.25 -2.31 0.00 0.00 -0.01 0.00 0.00 66.41 64.33 2d9x h THR 103 Cb -0.09 2.35 0.00 0.00 -1.07 0.00 0.00 68.15 69.34 2d9x h THR 103 CO -0.06 0.70 -0.02 -0.61 -0.01 0.00 0.00 175.52 175.53 2d9x h GLN 104 N 0.32 0.00 -1.57 0.00 4.15 -0.68 -2.28 115.11 115.05 2d9x h GLN 104 Ca -0.09 0.00 0.46 0.00 0.77 0.00 0.00 58.65 59.78 2d9x h GLN 104 Cb 1.59 0.00 -0.06 0.00 0.21 0.00 0.00 27.48 29.22 2d9x h GLN 104 CO 0.18 0.00 1.19 1.58 -1.93 0.00 0.00 178.83 179.85 2d9x n HIS 105 N -3.40 0.00 -0.02 3.99 -0.00 0.31 -0.43 115.22 115.67 2d9x n HIS 105 Ca -0.00 0.00 -0.01 0.00 0.46 0.00 0.00 57.72 58.17 2d9x n HIS 105 Cb 0.01 -0.39 -0.00 0.00 -0.12 0.00 0.00 29.99 29.48 2d9x n HIS 105 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 2d9x h HIS 106 N 0.00 0.00 -1.59 1.57 3.86 -1.66 -3.34 115.15 114.00 2d9x h HIS 106 Ca 0.75 0.00 0.47 0.00 -1.16 0.00 0.00 60.37 60.43 2d9x h HIS 106 Cb 3.13 0.00 -0.08 0.00 1.06 0.00 0.00 27.41 31.52 2d9x h HIS 106 CO 0.00 0.00 1.12 0.00 0.86 0.00 0.00 177.93 179.91 2d9x h THR 107 N -0.39 0.17 -0.31 2.45 1.03 -0.44 0.64 112.91 116.05 2d9x h THR 107 Ca 0.00 -0.01 -0.02 0.00 -0.01 0.00 0.00 66.41 66.37 2d9x h THR 107 Cb 0.14 0.13 -0.01 0.00 -1.07 0.00 0.00 68.15 67.34 2d9x h THR 107 CO 0.00 0.01 0.13 -0.08 -0.01 0.00 0.00 175.52 175.57 2d9x h GLU 108 N 0.03 0.46 -0.86 0.00 4.81 -0.91 -2.64 114.58 115.48 2d9x h GLU 108 Ca 0.79 -0.08 0.15 0.00 -0.13 0.00 0.00 59.36 60.09 2d9x h GLU 108 Cb 3.02 -0.08 -0.06 0.00 0.63 0.00 0.00 28.75 32.26 2d9x h GLU 108 CO -0.10 0.46 0.56 0.00 -0.73 0.00 0.00 179.01 179.20 2d9x h ALA 109 N 0.98 1.93 -1.12 2.92 0.00 0.18 -3.41 119.26 120.73 2d9x h ALA 109 Ca 0.10 0.01 -0.71 0.00 0.00 0.00 0.00 54.91 54.32 2d9x h ALA 109 Cb 0.16 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2d9x h ALA 109 CO -0.01 -0.17 1.21 -0.89 0.00 0.00 0.00 179.25 179.39 2d9x n ILE 110 N -4.54 0.22 -0.39 0.00 2.08 -1.00 -4.93 119.36 110.80 2d9x n ILE 110 Ca 0.17 -0.14 0.00 0.00 0.56 0.00 0.00 62.75 63.33 2d9x n ILE 110 Cb 0.50 -1.34 0.00 0.00 -0.75 0.00 0.00 39.64 38.05 2d9x n ILE 110 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2d9x n GLY 111 N 5.79 -1.86 3.99 7.39 0.00 -1.26 -5.06 105.19 114.17 2d9x n GLY 111 Ca 0.37 -1.50 -0.21 0.00 0.00 0.00 0.00 46.02 44.68 2d9x n GLY 111 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2d9x s LYS 112 N -1.77 2.23 -1.76 1.61 -2.85 -1.26 -4.42 119.74 111.51 2d9x s LYS 112 Ca 0.00 -1.08 -0.18 0.00 -1.00 0.00 0.00 55.97 53.70 2d9x s LYS 112 Cb 0.00 -2.49 0.17 0.00 -2.06 0.00 0.00 37.83 33.46 2d9x s LYS 112 CO 0.00 -0.95 0.60 -1.71 0.10 0.00 0.00 175.35 173.39 2d9x n ASN 113 N -2.45 -2.02 -0.12 0.03 4.05 -1.26 -4.82 115.26 108.67 2d9x n ASN 113 Ca 0.12 -1.15 -0.13 0.00 0.45 0.00 0.00 54.58 53.87 2d9x n ASN 113 Cb 0.60 -2.12 -0.08 0.00 1.23 0.00 0.00 39.78 39.41 2d9x n ASN 113 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 177.26 173.66 2d9x h ASN 114 N -1.26 -1.72 -0.92 1.20 -1.07 -1.99 -1.80 115.58 108.02 2d9x h ASN 114 Ca -0.60 0.23 0.12 0.00 0.07 0.00 0.00 56.30 56.11 2d9x h ASN 114 Cb 1.39 0.71 -0.13 0.00 -2.07 0.00 0.00 38.32 38.22 2d9x h ASN 114 CO 0.82 -0.40 -0.48 -1.28 0.07 0.00 0.00 177.43 176.16 2d9x h SER 115 N -0.40 -1.75 -2.72 6.14 0.87 -1.94 -3.47 113.55 110.28 2d9x h SER 115 Ca 0.09 0.31 0.20 0.00 -1.23 0.00 0.00 61.79 61.16 2d9x h SER 115 Cb 0.60 0.83 -0.05 0.00 -0.44 0.00 0.00 62.40 63.34 2d9x h SER 115 CO -0.58 -0.27 -0.27 0.61 -0.53 0.00 0.00 176.83 175.79 2d9x n GLY 116 N -1.37 -1.66 0.22 5.77 0.00 -0.68 -3.89 105.19 103.58 2d9x n GLY 116 Ca 0.05 -1.17 0.09 0.00 0.00 0.00 0.00 46.02 44.99 2d9x n GLY 116 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2d9x h PRO 117 N 0.00 0.00 -4.36 1.61 0.13 -1.90 -3.38 132.00 124.09 2d9x h PRO 117 Ca 0.02 0.00 -0.68 0.00 -0.87 0.00 0.00 66.00 64.47 2d9x h PRO 117 Cb 0.67 0.00 -0.37 0.00 0.13 0.00 0.00 31.00 31.43 2d9x h PRO 117 CO 0.01 0.26 -0.59 -1.12 -0.23 0.00 0.00 178.00 176.32 2d9x s SER 118 N -6.32 5.00 0.14 1.44 0.01 -1.26 -5.08 113.70 107.63 2d9x s SER 118 Ca -0.01 -2.25 -0.34 0.00 1.31 0.00 0.00 55.95 54.66 2d9x s SER 118 Cb 0.11 -1.75 -0.13 0.00 0.21 0.00 0.00 66.02 64.46 2d9x s SER 118 CO 0.65 -0.44 1.63 -1.54 0.41 0.00 0.00 173.24 173.95 2d9x n SER 119 N 4.22 3.23 -0.35 2.44 3.41 -1.25 -4.99 113.62 120.33 2d9x n SER 119 Ca 0.02 1.07 0.15 0.00 -0.26 0.00 0.00 58.87 59.84 2d9x n SER 119 Cb 0.40 -1.43 0.64 0.00 -0.26 0.00 0.00 64.21 63.56 2d9x n SER 119 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49