#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 -0.05 -0.22 1.61 0.01 -1.26 -5.14 113.70 108.65 2d9x s SER 2 Ca 0.00 0.17 0.00 0.00 1.31 0.00 0.00 55.95 57.43 2d9x s SER 2 Cb 0.00 0.11 0.02 0.00 0.21 0.00 0.00 66.02 66.37 2d9x s SER 2 CO 0.00 -0.08 -0.13 -0.44 0.41 0.00 0.00 173.24 173.00 2d9x s SER 3 N 0.58 3.81 0.00 2.44 0.01 -1.26 -5.11 113.70 114.17 2d9x s SER 3 Ca -0.04 -0.80 0.00 0.00 1.31 0.00 0.00 55.95 56.41 2d9x s SER 3 Cb -0.06 -1.57 0.00 0.00 0.21 0.00 0.00 66.02 64.60 2d9x s SER 3 CO -0.02 -0.07 0.00 0.61 0.41 0.00 0.00 173.24 174.17 2d9x n GLY 4 N 4.62 4.36 3.55 3.44 0.00 -1.26 -4.96 105.19 114.94 2d9x n GLY 4 Ca -0.18 -1.99 -0.25 0.00 0.00 0.00 0.00 46.02 43.59 2d9x n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2d9x n SER 5 N 0.00 2.32 -4.14 1.61 3.41 -1.26 -4.85 113.62 110.71 2d9x n SER 5 Ca 0.00 -2.61 -0.14 0.00 -0.26 0.00 0.00 58.87 55.86 2d9x n SER 5 Cb 0.00 -1.65 -0.11 0.00 -0.26 0.00 0.00 64.21 62.19 2d9x n SER 5 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2d9x s SER 6 N 7.16 1.25 -0.37 4.04 0.15 -1.26 -5.09 113.70 119.57 2d9x s SER 6 Ca 0.73 -0.73 -0.00 0.00 0.70 0.00 0.00 55.95 56.64 2d9x s SER 6 Cb -0.01 0.02 0.27 0.00 -1.71 0.00 0.00 66.02 64.59 2d9x s SER 6 CO 0.16 -0.25 1.15 0.61 1.20 0.00 0.00 173.24 176.12 2d9x n GLY 7 N 0.84 -1.27 3.03 9.45 0.00 -1.26 -5.15 105.19 110.83 2d9x n GLY 7 Ca -0.18 0.77 -0.13 0.00 0.00 0.00 0.00 46.02 46.48 2d9x n GLY 7 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2d9x s GLU 8 N 0.26 0.18 0.23 1.61 -1.05 -1.26 -5.16 118.70 113.51 2d9x s GLU 8 Ca 0.27 0.44 -0.04 0.00 -0.15 0.00 0.00 54.97 55.49 2d9x s GLU 8 Cb 0.22 -0.08 -0.05 0.00 -0.44 0.00 0.00 34.13 33.77 2d9x s GLU 8 CO -0.13 -0.13 0.47 -0.80 0.95 0.00 0.00 175.26 175.62 2d9x s ASN 9 N 0.99 6.45 -0.10 0.83 0.01 -1.26 -4.98 114.94 116.88 2d9x s ASN 9 Ca -0.07 0.60 -0.12 0.00 -0.71 0.00 0.00 52.86 52.56 2d9x s ASN 9 Cb -0.09 -2.10 -0.05 0.00 0.41 0.00 0.00 41.25 39.43 2d9x s ASN 9 CO -0.06 -0.09 0.28 -0.69 -1.51 0.00 0.00 177.10 175.02 2d9x s VAL 10 N -1.92 5.28 0.08 1.60 1.01 -1.26 -4.95 120.40 120.24 2d9x s VAL 10 Ca 0.42 0.52 -0.14 0.00 0.00 0.00 0.00 61.98 62.78 2d9x s VAL 10 Cb -0.11 -3.58 0.02 0.00 0.00 0.00 0.00 36.38 32.71 2d9x s VAL 10 CO 0.28 0.52 0.34 -0.72 0.00 0.00 0.00 175.10 175.52 2d9x s TYR 11 N -0.48 -0.12 -0.20 5.22 -0.85 -1.26 0.26 117.35 119.92 2d9x s TYR 11 Ca 0.18 -0.11 0.00 0.00 -0.52 0.00 0.00 57.07 56.62 2d9x s TYR 11 Cb -0.14 0.14 0.00 0.00 0.38 0.00 0.00 41.96 42.35 2d9x s TYR 11 CO 0.07 -0.59 0.00 0.41 -1.52 0.00 0.00 175.55 173.92 2d9x n GLY 12 N 0.18 -1.21 3.18 5.49 0.00 -0.79 -4.99 105.19 107.05 2d9x n GLY 12 Ca -0.17 -0.90 -0.38 0.00 0.00 0.00 0.00 46.02 44.57 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 -2.61 3.46 0.32 1.61 1.51 -1.26 -0.98 117.35 119.41 2d9x s TYR 13 Ca 0.00 -2.03 0.08 0.00 -1.01 0.00 0.00 57.07 54.11 2d9x s TYR 13 Cb 0.00 -3.04 -0.03 0.00 -0.11 0.00 0.00 41.96 38.78 2d9x s TYR 13 CO 0.00 -0.92 0.21 -0.51 -1.11 0.00 0.00 175.55 173.22 2d9x s LEU 14 N 1.26 3.47 -0.36 -1.29 1.43 0.75 -4.51 118.68 119.44 2d9x s LEU 14 Ca 0.05 -0.58 -0.10 0.00 -1.03 0.00 0.00 54.13 52.46 2d9x s LEU 14 Cb -0.23 -2.02 0.02 0.00 0.03 0.00 0.00 46.19 43.99 2d9x s LEU 14 CO -0.02 -0.28 0.19 -0.04 0.23 0.00 0.00 176.35 176.43 2d9x s MET 15 N -3.91 2.94 -0.17 1.70 -1.94 -1.21 0.96 119.30 117.68 2d9x s MET 15 Ca 0.38 -0.99 -0.11 0.00 -1.71 0.00 0.00 55.69 53.26 2d9x s MET 15 Cb -0.05 -3.68 -0.05 0.00 2.01 0.00 0.00 34.83 33.06 2d9x s MET 15 CO 0.25 -0.63 0.18 0.21 -0.01 0.00 0.00 175.02 175.02 2d9x s LYS 16 N 1.56 4.09 -0.73 2.03 2.20 -1.12 -3.09 119.74 124.67 2d9x s LYS 16 Ca 0.03 -0.10 -0.26 0.00 -0.36 0.00 0.00 55.97 55.28 2d9x s LYS 16 Cb -0.19 -3.38 -0.03 0.00 -1.51 0.00 0.00 37.83 32.72 2d9x s LYS 16 CO 0.06 0.37 1.90 -0.47 -0.36 0.00 0.00 175.35 176.86 2d9x s TYR 17 N 0.13 1.71 -0.00 4.03 6.14 -1.05 -3.38 117.35 124.94 2d9x s TYR 17 Ca 0.12 0.74 -0.25 0.00 0.64 0.00 0.00 57.07 58.32 2d9x s TYR 17 Cb -0.12 -4.06 -0.17 0.00 0.42 0.00 0.00 41.96 38.03 2d9x s TYR 17 CO 0.01 -2.08 1.23 1.79 0.64 0.00 0.00 175.55 177.15 2d9x h THR 18 N 7.05 0.89 -3.39 4.34 1.35 -1.90 -3.48 112.91 117.77 2d9x h THR 18 Ca -0.11 -0.75 -0.08 0.00 -0.55 0.00 0.00 66.41 64.92 2d9x h THR 18 Cb 1.10 1.31 -0.04 0.00 -1.73 0.00 0.00 68.15 68.79 2d9x h THR 18 CO 1.21 0.16 0.09 0.21 -0.25 0.00 0.00 175.52 176.95 2d9x s ASN 19 N -5.27 0.21 -0.02 5.36 3.84 -1.26 -5.01 114.94 112.79 2d9x s ASN 19 Ca -0.14 -1.14 -0.22 0.00 0.21 0.00 0.00 52.86 51.57 2d9x s ASN 19 Cb 0.02 0.75 -0.14 0.00 -0.55 0.00 0.00 41.25 41.33 2d9x s ASN 19 CO 0.57 -1.47 0.96 0.25 -2.79 0.00 0.00 177.10 174.62 2d9x h LEU 20 N 2.06 -0.34 -0.07 3.21 6.46 -1.93 0.25 115.31 124.94 2d9x h LEU 20 Ca -0.29 -0.19 0.04 0.00 -0.12 0.00 0.00 57.88 57.32 2d9x h LEU 20 Cb 1.25 0.09 -0.06 0.00 -0.73 0.00 0.00 40.66 41.21 2d9x h LEU 20 CO 0.37 0.11 -0.35 1.62 -0.62 0.00 0.00 178.44 179.57 2d9x h VAL 21 N -0.91 0.25 0.13 1.05 3.04 -2.04 -2.90 116.25 114.87 2d9x h VAL 21 Ca -0.04 0.00 -0.01 0.00 -1.01 0.00 0.00 66.70 65.64 2d9x h VAL 21 Cb 0.51 0.25 0.00 0.00 -2.01 0.00 0.00 31.29 30.04 2d9x h VAL 21 CO 0.07 0.00 -0.06 0.74 -1.01 0.00 0.00 177.57 177.30 2d9x h THR 22 N -0.46 1.00 0.00 3.17 2.02 -1.98 -3.48 112.91 113.17 2d9x h THR 22 Ca 0.08 -0.55 0.00 0.00 0.77 0.00 0.00 66.41 66.70 2d9x h THR 22 Cb 0.58 1.34 0.00 0.00 -1.74 0.00 0.00 68.15 68.33 2d9x h THR 22 CO -0.33 0.13 0.00 0.61 0.37 0.00 0.00 175.52 176.30 2d9x n GLY 23 N -0.45 0.80 3.34 2.16 0.00 0.86 -4.94 105.19 106.96 2d9x n GLY 23 Ca -0.09 -0.70 -0.18 0.00 0.00 0.00 0.00 46.02 45.05 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 1.60 -0.28 1.61 0.52 -1.26 -3.25 118.94 117.88 2d9x s TRP 24 Ca 0.00 -0.77 -0.15 0.00 0.02 0.00 0.00 56.10 55.20 2d9x s TRP 24 Cb 0.00 -0.87 0.10 0.00 -1.15 0.00 0.00 33.47 31.55 2d9x s TRP 24 CO 0.00 0.13 0.72 -0.65 0.02 0.00 0.00 176.95 177.17 2d9x s GLN 25 N -3.77 0.64 0.28 4.98 -0.21 -1.22 -4.92 119.66 115.44 2d9x s GLN 25 Ca 0.25 1.19 -0.29 0.00 0.02 0.00 0.00 55.36 56.52 2d9x s GLN 25 Cb 0.03 0.25 -0.14 0.00 1.00 0.00 0.00 33.01 34.16 2d9x s GLN 25 CO 0.07 -0.15 1.22 0.66 -2.12 0.00 0.00 175.29 174.97 2d9x n TYR 26 N 4.43 1.82 -3.81 0.91 4.01 -1.26 -2.81 117.16 120.45 2d9x n TYR 26 Ca -0.18 0.58 -0.12 0.00 -0.16 0.00 0.00 57.90 58.01 2d9x n TYR 26 Cb 0.57 -2.36 -0.09 0.00 -0.31 0.00 0.00 39.34 37.15 2d9x n TYR 26 CO 0.00 0.00 0.00 0.50 -0.46 0.00 0.00 176.86 176.90 2d9x s ARG 27 N -1.20 0.58 -0.12 -0.72 6.06 0.27 -4.91 118.95 118.90 2d9x s ARG 27 Ca 0.62 -0.29 -0.15 0.00 -2.50 0.00 0.00 55.73 53.42 2d9x s ARG 27 Cb -0.66 0.25 -0.05 0.00 0.06 0.00 0.00 34.95 34.55 2d9x s ARG 27 CO 0.57 -0.15 0.35 0.12 -2.50 0.00 0.00 175.30 173.69 2d9x s PHE 28 N -1.34 3.52 0.03 5.12 5.36 -0.79 -0.18 117.98 129.71 2d9x s PHE 28 Ca -0.14 0.73 0.07 0.00 -0.96 0.00 0.00 56.93 56.63 2d9x s PHE 28 Cb -0.06 -2.36 -0.02 0.00 -0.34 0.00 0.00 43.02 40.23 2d9x s PHE 28 CO 0.03 0.31 -0.21 -0.06 -1.46 0.00 0.00 175.22 173.83 2d9x s PHE 29 N 0.18 1.85 -0.36 10.12 0.40 -0.15 -0.50 117.98 129.52 2d9x s PHE 29 Ca 0.20 -0.37 -0.00 0.00 -0.60 0.00 0.00 56.93 56.16 2d9x s PHE 29 Cb -0.14 -1.13 0.12 0.00 0.51 0.00 0.00 43.02 42.38 2d9x s PHE 29 CO 0.07 0.06 0.18 0.08 0.70 0.00 0.00 175.22 176.31 2d9x s VAL 30 N -0.70 0.70 0.45 -0.44 1.01 -0.66 -1.89 120.40 118.86 2d9x s VAL 30 Ca 0.08 -1.78 -0.25 0.00 0.00 0.00 0.00 61.98 60.02 2d9x s VAL 30 Cb -0.09 -1.51 -0.09 0.00 0.00 0.00 0.00 36.38 34.69 2d9x s VAL 30 CO 0.01 -0.85 1.42 -0.11 0.00 0.00 0.00 175.10 175.57 2d9x n LEU 31 N 4.24 5.02 -4.07 3.92 7.94 0.14 -3.73 117.00 130.45 2d9x n LEU 31 Ca 0.05 1.12 -0.32 0.00 -1.11 0.00 0.00 56.01 55.76 2d9x n LEU 31 Cb 0.38 -1.60 -0.15 0.00 0.53 0.00 0.00 43.42 42.58 2d9x n LEU 31 CO 0.15 -0.18 -0.47 0.21 -1.11 0.00 0.00 177.39 176.00 2d9x s ASN 32 N -0.46 4.22 -0.05 1.96 3.84 -0.88 -4.11 114.94 119.47 2d9x s ASN 32 Ca 0.61 -1.28 -0.02 0.00 0.21 0.00 0.00 52.86 52.38 2d9x s ASN 32 Cb -0.46 -1.52 -0.01 0.00 -0.55 0.00 0.00 41.25 38.72 2d9x s ASN 32 CO 0.58 -0.17 0.11 -1.13 -2.79 0.00 0.00 177.10 173.70 2d9x h ASN 33 N 7.81 -0.05 -1.03 -4.21 -0.73 -1.93 0.97 115.58 116.41 2d9x h ASN 33 Ca -0.23 0.00 0.32 0.00 1.87 0.00 0.00 56.30 58.27 2d9x h ASN 33 Cb 1.06 0.01 -0.14 0.00 0.27 0.00 0.00 38.32 39.52 2d9x h ASN 33 CO 0.48 0.22 0.60 1.05 -0.37 0.00 0.00 177.43 179.41 2d9x h GLU 34 N -0.58 0.31 0.00 6.67 4.11 -1.99 -2.08 114.58 121.02 2d9x h GLU 34 Ca -0.01 -0.02 -0.22 0.00 0.07 0.00 0.00 59.36 59.19 2d9x h GLU 34 Cb 0.05 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.20 2d9x h GLU 34 CO 0.01 0.21 -1.19 0.00 0.07 0.00 0.00 179.01 178.11 2d9x h ALA 35 N 1.82 0.25 0.00 1.06 0.00 -1.99 -3.49 119.26 116.90 2d9x h ALA 35 Ca 0.73 -1.17 0.00 0.00 0.00 0.00 0.00 54.91 54.47 2d9x h ALA 35 Cb 1.71 0.70 0.00 0.00 0.00 0.00 0.00 17.79 20.20 2d9x h ALA 35 CO -0.57 0.67 0.00 0.41 0.00 0.00 0.00 179.25 179.75 2d9x n GLY 36 N 1.44 1.02 3.38 0.00 0.00 0.34 -5.08 105.19 106.29 2d9x n GLY 36 Ca -0.31 -0.28 -0.31 0.00 0.00 0.00 0.00 46.02 45.12 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 2.31 -0.37 0.99 1.43 -1.08 -3.57 118.68 118.39 2d9x s LEU 37 Ca 0.00 -0.45 -0.13 0.00 -1.03 0.00 0.00 54.13 52.53 2d9x s LEU 37 Cb 0.00 -1.40 0.01 0.00 0.03 0.00 0.00 46.19 44.83 2d9x s LEU 37 CO 0.00 0.30 0.24 -0.22 0.23 0.00 0.00 176.35 176.89 2d9x s LEU 38 N -0.96 4.73 0.37 1.79 2.96 -0.98 -2.06 118.68 124.52 2d9x s LEU 38 Ca 0.12 -0.78 0.08 0.00 -0.22 0.00 0.00 54.13 53.33 2d9x s LEU 38 Cb -0.10 -2.09 -0.04 0.00 0.50 0.00 0.00 46.19 44.46 2d9x s LEU 38 CO 0.01 -0.35 0.21 -1.61 -1.32 0.00 0.00 176.35 173.30 2d9x s GLU 39 N 1.64 2.43 -0.21 1.98 2.02 -1.24 -1.32 118.70 123.98 2d9x s GLU 39 Ca 0.04 -1.56 -0.12 0.00 0.02 0.00 0.00 54.97 53.35 2d9x s GLU 39 Cb -0.18 -2.22 0.07 0.00 0.10 0.00 0.00 34.13 31.89 2d9x s GLU 39 CO 0.09 0.01 0.51 1.52 0.02 0.00 0.00 175.26 177.41 2d9x s TYR 40 N -2.45 -0.79 0.41 1.61 -0.85 -1.18 -1.66 117.35 112.44 2d9x s TYR 40 Ca 0.41 1.62 0.07 0.00 -0.52 0.00 0.00 57.07 58.64 2d9x s TYR 40 Cb -0.02 0.41 -0.08 0.00 0.38 0.00 0.00 41.96 42.66 2d9x s TYR 40 CO 0.24 -0.42 0.01 -0.06 -1.52 0.00 0.00 175.55 173.80 2d9x s PHE 41 N 1.56 2.46 0.40 -3.49 0.40 0.34 -2.66 117.98 116.99 2d9x s PHE 41 Ca -0.09 -0.70 0.13 0.00 -0.60 0.00 0.00 56.93 55.67 2d9x s PHE 41 Cb -0.07 -1.74 0.96 0.00 0.51 0.00 0.00 43.02 42.67 2d9x s PHE 41 CO -0.15 0.41 1.91 0.28 0.70 0.00 0.00 175.22 178.37 2d9x h VAL 42 N 1.77 0.83 -2.12 -0.44 2.07 -1.85 -2.09 116.25 114.41 2d9x h VAL 42 Ca -0.44 -0.18 0.31 0.00 0.82 0.00 0.00 66.70 67.21 2d9x h VAL 42 Cb 1.24 0.26 -0.07 0.00 -1.52 0.00 0.00 31.29 31.21 2d9x h VAL 42 CO 0.80 0.09 0.83 0.54 0.02 0.00 0.00 177.57 179.86 2d9x s ASN 43 N -5.93 -0.00 0.58 0.57 2.20 -1.26 -4.30 114.94 106.79 2d9x s ASN 43 Ca -0.09 -0.28 0.38 0.00 -0.94 0.00 0.00 52.86 51.94 2d9x s ASN 43 Cb 0.21 0.21 1.97 0.00 -2.00 0.00 0.00 41.25 41.65 2d9x s ASN 43 CO 0.77 -0.42 2.17 -0.08 -2.94 0.00 0.00 177.10 176.60 2d9x h GLU 44 N 2.00 0.00 -0.14 3.55 4.81 -1.96 0.30 114.58 123.14 2d9x h GLU 44 Ca -0.24 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.99 2d9x h GLU 44 Cb 1.19 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.57 2d9x h GLU 44 CO 0.32 0.00 0.00 1.04 -0.73 0.00 0.00 179.01 179.64 2d9x n GLN 45 N -2.94 1.59 -0.88 1.92 6.02 -1.26 -3.66 117.38 118.17 2d9x n GLN 45 Ca -0.02 -0.89 0.05 0.00 -0.01 0.00 0.00 57.00 56.13 2d9x n GLN 45 Cb 0.13 -1.37 0.12 0.00 1.02 0.00 0.00 30.24 30.14 2d9x n GLN 45 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 2d9x n SER 46 N 0.12 1.38 0.30 1.08 7.64 0.09 -4.86 113.62 119.37 2d9x n SER 46 Ca 0.15 -2.98 -0.12 0.00 1.01 0.00 0.00 58.87 56.93 2d9x n SER 46 Cb 0.28 -0.41 -0.06 0.00 -1.01 0.00 0.00 64.21 63.01 2d9x n SER 46 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 2d9x h ARG 47 N 0.84 -0.77 -0.49 1.43 3.08 -1.63 -3.28 114.38 113.56 2d9x h ARG 47 Ca -0.09 0.05 0.10 0.00 0.07 0.00 0.00 59.98 60.11 2d9x h ARG 47 Cb 1.37 0.18 -0.10 0.00 0.08 0.00 0.00 29.97 31.49 2d9x h ARG 47 CO 0.04 -0.52 -0.22 -0.97 -1.07 0.00 0.00 179.97 177.23 2d9x h ASN 48 N -1.10 -0.76 -2.69 7.04 -0.73 -1.89 -3.43 115.58 112.03 2d9x h ASN 48 Ca -0.08 0.18 -0.57 0.00 1.87 0.00 0.00 56.30 57.70 2d9x h ASN 48 Cb 0.62 0.42 0.20 0.00 0.27 0.00 0.00 38.32 39.82 2d9x h ASN 48 CO 0.13 -0.25 -0.86 1.67 -0.37 0.00 0.00 177.43 177.76 2d9x n GLN 49 N -5.41 0.15 -1.64 6.67 7.27 -1.24 -4.80 117.38 118.39 2d9x n GLN 49 Ca 0.04 0.07 -0.45 0.00 0.07 0.00 0.00 57.00 56.73 2d9x n GLN 49 Cb 0.31 -1.47 -0.02 0.00 2.41 0.00 0.00 30.24 31.47 2d9x n GLN 49 CO 0.00 0.00 0.00 1.17 0.07 0.00 0.00 177.06 178.30 2d9x n LYS 50 N 0.38 1.70 -2.21 3.69 0.00 -1.26 -4.90 118.16 115.57 2d9x n LYS 50 Ca 0.07 0.60 -0.42 0.00 0.00 0.00 0.00 58.31 58.57 2d9x n LYS 50 Cb 0.50 -2.13 -0.03 0.00 0.00 0.00 0.00 35.03 33.37 2d9x n LYS 50 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 2d9x s PRO 51 N -1.07 4.35 0.53 1.64 0.04 -1.26 -4.90 135.00 134.32 2d9x s PRO 51 Ca 0.63 2.04 0.24 0.00 0.04 0.00 0.00 61.00 63.95 2d9x s PRO 51 Cb -0.68 -3.25 1.38 0.00 0.04 0.00 0.00 34.50 31.99 2d9x s PRO 51 CO 0.56 -0.38 2.02 0.00 0.04 0.00 0.00 177.00 179.24 2d9x h ARG 52 N 6.50 0.00 -1.44 4.56 2.47 -1.85 -3.45 114.38 121.17 2d9x h ARG 52 Ca -0.43 -0.00 0.24 0.00 -1.26 0.00 0.00 59.98 58.54 2d9x h ARG 52 Cb 1.21 -0.00 -0.20 0.00 -1.65 0.00 0.00 29.97 29.33 2d9x h ARG 52 CO 0.84 0.00 0.81 0.20 0.56 0.00 0.00 179.97 182.38 2d9x s GLY 53 N -4.02 -0.25 0.01 0.04 0.00 -1.26 -5.06 107.32 96.78 2d9x s GLY 53 Ca -0.05 1.75 0.00 0.00 0.00 0.00 0.00 44.72 46.42 2d9x s GLY 53 CO 0.72 0.62 -0.02 -0.51 0.00 0.00 0.00 173.10 173.91 2d9x s THR 54 N -2.21 0.10 -0.11 0.90 -4.23 -1.26 -3.13 115.64 105.71 2d9x s THR 54 Ca 0.09 -0.30 0.00 0.00 -1.18 0.00 0.00 61.69 60.29 2d9x s THR 54 Cb -0.01 -0.14 0.02 0.00 1.34 0.00 0.00 72.50 73.71 2d9x s THR 54 CO -0.05 -0.13 -0.09 -0.22 -0.54 0.00 0.00 174.62 173.59 2d9x s LEU 55 N -0.45 1.34 0.31 4.79 2.96 -0.44 -4.97 118.68 122.22 2d9x s LEU 55 Ca -0.04 -0.32 -0.29 0.00 -0.22 0.00 0.00 54.13 53.26 2d9x s LEU 55 Cb -0.03 -0.88 -0.10 0.00 0.50 0.00 0.00 46.19 45.68 2d9x s LEU 55 CO -0.00 -0.08 1.28 -1.10 -1.32 0.00 0.00 176.35 175.13 2d9x s GLN 56 N 1.46 4.40 -0.24 1.98 -0.21 -1.26 -2.31 119.66 123.49 2d9x s GLN 56 Ca 0.01 2.14 0.06 0.00 0.02 0.00 0.00 55.36 57.59 2d9x s GLN 56 Cb -0.13 -3.10 -0.19 0.00 1.00 0.00 0.00 33.01 30.59 2d9x s GLN 56 CO -0.06 -0.13 -0.16 1.28 -2.12 0.00 0.00 175.29 174.10 2d9x n LEU 57 N 1.02 2.28 -4.51 2.90 4.77 -1.23 -4.80 117.00 117.43 2d9x n LEU 57 Ca 0.00 -0.11 -0.39 0.00 -0.03 0.00 0.00 56.01 55.49 2d9x n LEU 57 Cb 0.42 -0.57 -0.14 0.00 -2.33 0.00 0.00 43.42 40.80 2d9x n LEU 57 CO 0.58 0.83 2.19 0.00 -1.33 0.00 0.00 177.39 179.66 2d9x n ALA 58 N -3.13 0.39 -1.15 -1.18 0.00 -1.26 0.70 120.51 114.89 2d9x n ALA 58 Ca -0.42 -0.39 0.00 0.00 0.00 0.00 0.00 53.44 52.63 2d9x n ALA 58 Cb 1.02 -2.38 0.00 0.00 0.00 0.00 0.00 19.45 18.09 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 6.39 1.03 3.74 0.00 0.00 -1.21 -4.72 105.19 110.42 2d9x n GLY 59 Ca 0.63 -0.34 -0.25 0.00 0.00 0.00 0.00 46.02 46.06 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 -2.39 3.63 -0.02 4.61 0.00 0.22 -0.46 121.76 127.36 2d9x s ALA 60 Ca 0.00 -1.99 0.02 0.00 0.00 0.00 0.00 51.96 49.99 2d9x s ALA 60 Cb 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 23.12 22.77 2d9x s ALA 60 CO 0.00 -0.18 -0.07 0.08 0.00 0.00 0.00 175.76 175.59 2d9x s VAL 61 N -2.63 0.63 -0.15 0.00 1.01 -1.24 -4.84 120.40 113.18 2d9x s VAL 61 Ca 0.39 -0.30 -0.00 0.00 0.00 0.00 0.00 61.98 62.06 2d9x s VAL 61 Cb 0.04 -0.56 -0.01 0.00 0.00 0.00 0.00 36.38 35.85 2d9x s VAL 61 CO 0.21 0.20 -0.14 -0.63 0.00 0.00 0.00 175.10 174.74 2d9x s ILE 62 N 0.09 2.80 -0.16 2.22 1.09 -1.26 0.53 121.20 126.51 2d9x s ILE 62 Ca -0.01 -0.73 -0.00 0.00 -1.10 0.00 0.00 60.65 58.81 2d9x s ILE 62 Cb -0.06 -2.19 0.04 0.00 -1.06 0.00 0.00 42.46 39.19 2d9x s ILE 62 CO -0.00 0.51 -0.06 -0.44 -0.10 0.00 0.00 174.94 174.85 2d9x s SER 63 N 0.72 2.76 -0.49 3.58 0.01 -1.16 -4.98 113.70 114.15 2d9x s SER 63 Ca -0.06 -0.62 -0.27 0.00 1.31 0.00 0.00 55.95 56.30 2d9x s SER 63 Cb -0.15 -0.93 -0.02 0.00 0.21 0.00 0.00 66.02 65.13 2d9x s SER 63 CO 0.02 -0.17 1.79 -2.16 0.41 0.00 0.00 173.24 173.12 2d9x s PRO 64 N 1.63 2.99 1.05 12.44 0.04 -1.26 -2.40 135.00 149.49 2d9x s PRO 64 Ca 0.01 0.94 -0.18 0.00 0.04 0.00 0.00 61.00 61.81 2d9x s PRO 64 Cb -0.15 -4.28 0.02 0.00 0.04 0.00 0.00 34.50 30.14 2d9x s PRO 64 CO -0.08 -2.28 -0.19 0.45 0.04 0.00 0.00 177.00 174.94 2d9x n SER 65 N 11.41 -2.68 -0.15 6.66 2.88 -1.22 -4.91 113.62 125.60 2d9x n SER 65 Ca 0.21 0.03 0.07 0.00 -1.33 0.00 0.00 58.87 57.84 2d9x n SER 65 Cb 0.50 -0.93 0.09 0.00 -0.75 0.00 0.00 64.21 63.12 2d9x n SER 65 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 2d9x n ASP 66 N -0.44 1.76 0.00 -3.46 5.75 -1.26 -4.75 116.55 114.15 2d9x n ASP 66 Ca 0.01 -2.71 -0.19 0.00 -0.01 0.00 0.00 54.79 51.89 2d9x n ASP 66 Cb 0.62 -0.33 -0.14 0.00 -1.03 0.00 0.00 41.12 40.24 2d9x n ASP 66 CO 0.00 0.00 0.00 -0.08 -0.11 0.00 0.00 177.20 177.01 2d9x h GLU 67 N 0.00 0.20 -5.22 0.11 4.22 -1.97 -3.47 114.58 108.46 2d9x h GLU 67 Ca 0.00 -0.35 -0.44 0.00 0.08 0.00 0.00 59.36 58.66 2d9x h GLU 67 Cb 1.04 0.13 -0.26 0.00 0.50 0.00 0.00 28.75 30.16 2d9x h GLU 67 CO 0.00 1.17 -0.79 0.34 -2.18 0.00 0.00 179.01 177.54 2d9x s ASP 68 N -6.84 1.56 0.19 1.04 2.15 -1.26 -5.04 116.67 108.46 2d9x s ASP 68 Ca -0.18 -0.39 -0.14 0.00 0.43 0.00 0.00 52.55 52.27 2d9x s ASP 68 Cb 0.02 -0.11 0.20 0.00 -0.30 0.00 0.00 42.92 42.73 2d9x s ASP 68 CO 0.77 0.05 1.24 -1.20 -0.17 0.00 0.00 175.17 175.86 2d9x n SER 69 N 2.12 -0.51 -4.34 -0.34 7.64 -1.26 -3.40 113.62 113.54 2d9x n SER 69 Ca -0.17 1.40 -0.42 0.00 1.01 0.00 0.00 58.87 60.69 2d9x n SER 69 Cb 0.55 -0.33 -0.10 0.00 -1.01 0.00 0.00 64.21 63.33 2d9x n SER 69 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 2d9x s HIS 70 N -5.77 3.28 -0.09 1.43 3.76 -1.26 -4.84 115.29 111.79 2d9x s HIS 70 Ca -0.11 -1.18 -0.30 0.00 -0.15 0.00 0.00 55.06 53.32 2d9x s HIS 70 Cb 0.17 -2.88 0.11 0.00 1.11 0.00 0.00 32.58 31.08 2d9x s HIS 70 CO 0.57 -0.78 0.93 0.99 -0.85 0.00 0.00 174.74 175.61 2d9x s THR 71 N 1.53 0.00 -0.12 1.30 2.01 -1.22 -4.44 115.64 114.71 2d9x s THR 71 Ca 0.03 0.00 -0.33 0.00 0.31 0.00 0.00 61.69 61.70 2d9x s THR 71 Cb -0.22 -1.00 0.13 0.00 0.01 0.00 0.00 72.50 71.41 2d9x s THR 71 CO 0.05 0.00 1.18 0.72 -0.69 0.00 0.00 174.62 175.88 2d9x s PHE 72 N -1.85 -0.13 0.14 4.92 -0.12 -1.23 -3.37 117.98 116.34 2d9x s PHE 72 Ca -0.00 0.05 0.04 0.00 -0.05 0.00 0.00 56.93 56.96 2d9x s PHE 72 Cb -0.01 0.53 -0.04 0.00 -0.63 0.00 0.00 43.02 42.87 2d9x s PHE 72 CO -0.01 -0.28 -0.08 0.95 -0.05 0.00 0.00 175.22 175.74 2d9x s THR 73 N -2.53 1.04 -0.42 -4.49 -4.23 -1.01 -2.82 115.64 101.18 2d9x s THR 73 Ca 0.10 -2.03 0.02 0.00 -1.18 0.00 0.00 61.69 58.60 2d9x s THR 73 Cb 0.00 -1.87 0.13 0.00 1.34 0.00 0.00 72.50 72.11 2d9x s THR 73 CO -0.05 -0.73 0.22 -0.69 -0.54 0.00 0.00 174.62 172.84 2d9x s VAL 74 N -3.41 1.26 0.76 2.29 1.01 -0.88 -2.99 120.40 118.44 2d9x s VAL 74 Ca 0.17 -2.38 -0.13 0.00 0.00 0.00 0.00 61.98 59.64 2d9x s VAL 74 Cb 0.03 -1.89 0.19 0.00 0.00 0.00 0.00 36.38 34.72 2d9x s VAL 74 CO 0.00 -0.88 0.63 0.59 0.00 0.00 0.00 175.10 175.44 2d9x n ASN 75 N 3.70 -1.94 -3.66 3.32 3.02 0.19 -2.02 115.26 117.87 2d9x n ASN 75 Ca 0.08 -0.84 -0.14 0.00 -0.03 0.00 0.00 54.58 53.65 2d9x n ASN 75 Cb 0.35 -0.60 -0.08 0.00 -0.61 0.00 0.00 39.78 38.84 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 -2.85 -1.47 0.24 5.41 0.00 0.05 -3.67 121.76 119.48 2d9x s ALA 76 Ca 0.42 1.60 -0.13 0.00 0.00 0.00 0.00 51.96 53.85 2d9x s ALA 76 Cb -0.05 -0.86 0.32 0.00 0.00 0.00 0.00 23.12 22.53 2d9x s ALA 76 CO 0.33 -0.29 1.57 0.00 0.00 0.00 0.00 175.76 177.37 2d9x h ALA 77 N 4.98 0.37 -0.06 0.00 0.00 -1.05 0.09 119.26 123.60 2d9x h ALA 77 Ca -0.28 0.31 0.04 0.00 0.00 0.00 0.00 54.91 54.97 2d9x h ALA 77 Cb 1.17 0.83 -0.06 0.00 0.00 0.00 0.00 17.79 19.73 2d9x h ALA 77 CO 0.16 -0.51 -0.42 0.77 0.00 0.00 0.00 179.25 179.26 2d9x h SER 78 N -0.02 -1.28 0.00 0.00 0.02 -1.95 -3.46 113.55 106.87 2d9x h SER 78 Ca 0.39 0.16 0.00 0.00 -0.84 0.00 0.00 61.79 61.50 2d9x h SER 78 Cb 0.64 0.51 0.00 0.00 0.14 0.00 0.00 62.40 63.69 2d9x h SER 78 CO -0.94 -0.44 0.00 0.61 -1.14 0.00 0.00 176.83 174.92 2d9x n GLY 79 N -1.44 0.00 2.98 -3.77 0.00 0.02 -5.16 105.19 97.82 2d9x n GLY 79 Ca -0.05 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.77 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 0.91 0.12 1.61 2.12 -1.24 -4.94 118.70 117.28 2d9x s GLU 80 Ca 0.00 -0.27 0.09 0.00 0.36 0.00 0.00 54.97 55.15 2d9x s GLU 80 Cb 0.00 -0.85 -0.04 0.00 0.26 0.00 0.00 34.13 33.50 2d9x s GLU 80 CO 0.00 0.09 -0.23 -1.14 -0.54 0.00 0.00 175.26 173.44 2d9x s GLN 81 N 0.25 1.25 -0.15 4.30 -0.44 -1.26 -0.77 119.66 122.84 2d9x s GLN 81 Ca -0.04 -1.27 -0.00 0.00 -2.50 0.00 0.00 55.36 51.55 2d9x s GLN 81 Cb -0.09 -1.57 -0.01 0.00 -1.64 0.00 0.00 33.01 29.71 2d9x s GLN 81 CO 0.00 0.36 -0.13 0.71 0.50 0.00 0.00 175.29 176.73 2d9x s TYR 82 N -1.25 2.81 -0.73 1.67 1.51 -0.86 -4.88 117.35 115.63 2d9x s TYR 82 Ca 0.11 -0.86 -0.18 0.00 -1.01 0.00 0.00 57.07 55.13 2d9x s TYR 82 Cb -0.09 -1.89 0.14 0.00 -0.11 0.00 0.00 41.96 40.00 2d9x s TYR 82 CO 0.05 -0.37 0.83 0.21 -1.11 0.00 0.00 175.55 175.16 2d9x s LYS 83 N 0.69 3.31 0.54 -0.62 2.20 -1.26 -2.08 119.74 122.52 2d9x s LYS 83 Ca -0.06 -1.70 0.05 0.00 -0.36 0.00 0.00 55.97 53.90 2d9x s LYS 83 Cb -0.15 -4.47 0.03 0.00 -1.51 0.00 0.00 37.83 31.73 2d9x s LYS 83 CO 0.02 -1.54 0.36 -0.51 -0.36 0.00 0.00 175.35 173.32 2d9x s LEU 84 N 2.10 2.67 -0.25 5.43 1.43 -1.13 -2.51 118.68 126.41 2d9x s LEU 84 Ca 0.18 -1.28 -0.03 0.00 -1.03 0.00 0.00 54.13 51.97 2d9x s LEU 84 Cb -0.16 -1.15 0.14 0.00 0.03 0.00 0.00 46.19 45.05 2d9x s LEU 84 CO -0.01 -1.08 0.45 -0.60 0.23 0.00 0.00 176.35 175.34 2d9x s ARG 85 N -4.24 0.40 0.74 1.70 3.52 -1.18 -3.55 118.95 116.35 2d9x s ARG 85 Ca 0.31 0.77 -0.15 0.00 -0.13 0.00 0.00 55.73 56.53 2d9x s ARG 85 Cb -0.02 -0.05 0.05 0.00 -1.56 0.00 0.00 34.95 33.37 2d9x s ARG 85 CO 0.19 -0.55 1.25 0.00 -0.81 0.00 0.00 175.30 175.38 2d9x s ALA 86 N 2.64 2.05 0.34 6.12 0.00 -1.26 -3.35 121.76 128.31 2d9x s ALA 86 Ca 0.11 1.01 0.05 0.00 0.00 0.00 0.00 51.96 53.13 2d9x s ALA 86 Cb -0.15 -3.52 0.69 0.00 0.00 0.00 0.00 23.12 20.15 2d9x s ALA 86 CO -0.17 -2.02 1.93 0.00 0.00 0.00 0.00 175.76 175.50 2d9x h THR 87 N -0.31 1.01 -3.53 0.00 1.03 -1.88 -3.46 112.91 105.76 2d9x h THR 87 Ca -0.48 -0.28 -0.19 0.00 -0.01 0.00 0.00 66.41 65.44 2d9x h THR 87 Cb 1.31 0.12 -0.04 0.00 -1.07 0.00 0.00 68.15 68.47 2d9x h THR 87 CO 0.49 0.15 -0.05 -0.67 -0.01 0.00 0.00 175.52 175.43 2d9x n ASP 88 N -4.49 -1.34 -0.13 0.00 2.03 -1.26 -5.03 116.55 106.33 2d9x n ASP 88 Ca 0.12 -2.56 -0.08 0.00 0.52 0.00 0.00 54.79 52.79 2d9x n ASP 88 Cb 0.25 2.42 -0.00 0.00 -0.72 0.00 0.00 41.12 43.07 2d9x n ASP 88 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2d9x h ALA 89 N 1.96 0.51 -0.19 -1.67 0.00 -1.88 -1.92 119.26 116.06 2d9x h ALA 89 Ca -0.24 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.62 2d9x h ALA 89 Cb 1.03 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 2d9x h ALA 89 CO 0.33 0.02 0.07 0.87 0.00 0.00 0.00 179.25 180.53 2d9x h LYS 90 N 0.52 0.16 0.00 0.00 1.79 -1.97 -0.63 116.57 116.43 2d9x h LYS 90 Ca 0.14 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.60 2d9x h LYS 90 Cb 0.03 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 30.64 2d9x h LYS 90 CO -0.02 0.11 0.00 -1.91 -1.08 0.00 0.00 179.45 176.54 2d9x n GLU 91 N -5.04 0.16 0.00 3.15 4.07 -1.12 -2.97 120.64 118.89 2d9x n GLU 91 Ca -0.03 0.51 0.00 0.00 -0.06 0.00 0.00 57.16 57.59 2d9x n GLU 91 Cb 0.07 -1.89 0.00 0.00 -0.06 0.00 0.00 31.44 29.56 2d9x n GLU 91 CO 0.00 0.00 0.00 -2.13 -0.06 0.00 0.00 177.13 174.94 2d9x n ARG 92 N -2.20 0.00 -0.31 5.31 0.00 -0.25 -2.38 116.66 116.83 2d9x n ARG 92 Ca 0.01 0.48 0.20 0.00 -0.00 0.00 0.00 57.85 58.53 2d9x n ARG 92 Cb 0.14 -1.27 0.47 0.00 0.00 0.00 0.00 32.46 31.80 2d9x n ARG 92 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.63 177.07 2d9x h GLN 93 N 0.00 0.47 -0.10 -0.14 -0.00 -1.56 -0.27 115.11 113.51 2d9x h GLN 93 Ca 0.00 -0.03 0.03 0.00 -0.00 0.00 0.00 58.65 58.65 2d9x h GLN 93 Cb 0.00 -0.11 -0.03 0.00 -0.00 0.00 0.00 27.48 27.35 2d9x h GLN 93 CO 0.00 0.31 -0.07 1.25 -0.00 0.00 0.00 178.83 180.32 2d9x h HIS 94 N 0.48 -0.17 0.19 0.06 2.76 -1.59 0.11 115.15 116.98 2d9x h HIS 94 Ca 0.55 0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.73 2d9x h HIS 94 Cb 1.27 0.09 0.00 0.00 1.55 0.00 0.00 27.41 30.33 2d9x h HIS 94 CO -0.00 -0.11 -0.09 -1.49 -1.30 0.00 0.00 177.93 174.94 2d9x h TRP 95 N -0.08 -0.23 -0.59 5.26 4.06 -0.72 0.87 115.95 124.52 2d9x h TRP 95 Ca 0.06 -0.01 0.12 0.00 2.06 0.00 0.00 58.89 61.12 2d9x h TRP 95 Cb 0.17 0.08 -0.09 0.00 -1.00 0.00 0.00 29.16 28.32 2d9x h TRP 95 CO -0.19 0.07 0.08 0.28 -3.56 0.00 0.00 178.44 175.13 2d9x h VAL 96 N -0.54 0.60 0.18 1.49 2.07 -1.13 0.17 116.25 119.09 2d9x h VAL 96 Ca -0.03 -0.07 -0.01 0.00 0.82 0.00 0.00 66.70 67.42 2d9x h VAL 96 Cb 0.41 0.38 0.00 0.00 -1.52 0.00 0.00 31.29 30.56 2d9x h VAL 96 CO 0.04 0.04 -0.09 0.28 0.02 0.00 0.00 177.57 177.86 2d9x h SER 97 N 0.20 -0.20 -0.98 0.57 0.02 -0.75 0.61 113.55 113.02 2d9x h SER 97 Ca 0.31 0.01 0.31 0.00 -0.84 0.00 0.00 61.79 61.58 2d9x h SER 97 Cb 0.47 0.05 -0.18 0.00 0.14 0.00 0.00 62.40 62.89 2d9x h SER 97 CO -0.43 -0.07 0.23 0.03 -1.14 0.00 0.00 176.83 175.45 2d9x h ARG 98 N -0.40 0.04 -0.08 3.45 2.47 -0.76 0.42 114.38 119.52 2d9x h ARG 98 Ca -0.02 -0.00 -0.05 0.00 -1.26 0.00 0.00 59.98 58.64 2d9x h ARG 98 Cb 0.18 -0.01 -0.00 0.00 -1.65 0.00 0.00 29.97 28.50 2d9x h ARG 98 CO 0.04 0.03 -0.14 -0.07 0.56 0.00 0.00 179.97 180.39 2d9x h LEU 99 N 0.04 0.26 -2.64 3.04 3.38 -0.72 -2.44 115.31 116.24 2d9x h LEU 99 Ca 0.68 -0.54 0.01 0.00 0.09 0.00 0.00 57.88 58.11 2d9x h LEU 99 Cb 1.55 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 42.22 2d9x h LEU 99 CO -0.84 0.75 0.10 1.56 0.09 0.00 0.00 178.44 180.11 2d9x h GLN 100 N -0.22 0.00 0.00 1.13 4.20 0.21 0.17 115.11 120.61 2d9x h GLN 100 Ca 0.01 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.66 2d9x h GLN 100 Cb 0.70 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.47 2d9x h GLN 100 CO 0.03 0.00 -0.37 0.82 -0.67 0.00 0.00 178.83 178.65 2d9x h ILE 101 N 0.00 1.04 -0.15 2.54 2.04 -0.60 -3.11 117.51 119.26 2d9x h ILE 101 Ca 0.01 -1.90 -0.06 0.00 1.00 0.00 0.00 64.86 63.92 2d9x h ILE 101 Cb 0.21 2.08 -0.01 0.00 -0.74 0.00 0.00 36.82 38.35 2d9x h ILE 101 CO -0.00 0.35 -0.15 0.00 0.00 0.00 0.00 178.15 178.35 2d9x h THR 103 N 0.23 1.28 0.00 0.00 1.03 -0.81 -3.03 112.91 111.61 2d9x h THR 103 Ca 0.05 -1.45 0.00 0.00 -0.01 0.00 0.00 66.41 65.00 2d9x h THR 103 Cb 0.42 1.32 0.00 0.00 -1.07 0.00 0.00 68.15 68.82 2d9x h THR 103 CO 0.03 0.48 -0.20 -0.61 -0.01 0.00 0.00 175.52 175.21 2d9x h GLN 104 N 0.66 0.00 -1.16 0.00 4.15 -1.39 -3.00 115.11 114.37 2d9x h GLN 104 Ca 0.07 0.00 0.34 0.00 0.77 0.00 0.00 58.65 59.83 2d9x h GLN 104 Cb 0.84 0.00 -0.05 0.00 0.21 0.00 0.00 27.48 28.48 2d9x h GLN 104 CO 0.07 0.00 1.20 1.58 -1.93 0.00 0.00 178.83 179.75 2d9x n HIS 105 N -4.17 0.00 -0.09 3.99 -0.00 0.10 0.76 115.22 115.81 2d9x n HIS 105 Ca -0.03 0.00 -0.16 0.00 0.46 0.00 0.00 57.72 57.99 2d9x n HIS 105 Cb 0.10 -0.29 -0.10 0.00 -0.12 0.00 0.00 29.99 29.58 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 0.00 1.57 3.86 -1.65 -3.36 115.15 115.56 2d9x h HIS 106 Ca 0.55 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.76 2d9x h HIS 106 Cb 2.94 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 31.41 2d9x h HIS 106 CO 0.00 1.10 -0.02 0.00 0.86 0.00 0.00 177.93 179.87 2d9x h THR 107 N -1.00 1.00 -0.42 2.45 1.03 0.49 -1.53 112.91 114.94 2d9x h THR 107 Ca -0.18 -0.05 0.06 0.00 -0.01 0.00 0.00 66.41 66.23 2d9x h THR 107 Cb 1.05 1.03 -0.02 0.00 -1.07 0.00 0.00 68.15 69.14 2d9x h THR 107 CO -0.11 0.02 0.28 -0.33 -0.01 0.00 0.00 175.52 175.37 2d9x h GLU 108 N 0.00 0.28 -0.60 0.00 5.08 -0.71 -0.86 114.58 117.77 2d9x h GLU 108 Ca -0.00 -0.02 0.15 0.00 -1.00 0.00 0.00 59.36 58.49 2d9x h GLU 108 Cb 0.03 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.19 2d9x h GLU 108 CO 0.00 0.18 0.42 0.00 -1.00 0.00 0.00 179.01 178.62 2d9x h ALA 109 N 1.78 2.38 -2.96 3.43 0.00 -1.43 -3.42 119.26 119.04 2d9x h ALA 109 Ca 0.18 -0.01 -0.56 0.00 0.00 0.00 0.00 54.91 54.52 2d9x h ALA 109 Cb 0.37 0.01 0.14 0.00 0.00 0.00 0.00 17.79 18.31 2d9x h ALA 109 CO -0.04 -0.54 0.50 -0.89 0.00 0.00 0.00 179.25 178.28 2d9x n ILE 110 N -4.41 3.75 -1.95 0.00 5.41 -0.33 -4.92 119.36 116.91 2d9x n ILE 110 Ca 0.11 -0.50 0.00 0.00 1.00 0.00 0.00 62.75 63.36 2d9x n ILE 110 Cb 0.58 -1.55 0.00 0.00 -0.71 0.00 0.00 39.64 37.96 2d9x n ILE 110 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2d9x n GLY 111 N 0.87 -0.81 3.26 7.39 0.00 -1.26 -5.05 105.19 109.58 2d9x n GLY 111 Ca 0.11 -1.49 -0.18 0.00 0.00 0.00 0.00 46.02 44.46 2d9x n GLY 111 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2d9x n LYS 112 N -0.34 -6.48 -3.77 1.61 4.81 -1.26 -5.02 118.16 107.71 2d9x n LYS 112 Ca 0.00 0.74 -0.12 0.00 -0.87 0.00 0.00 58.31 58.06 2d9x n LYS 112 Cb 0.00 -5.50 -0.08 0.00 0.02 0.00 0.00 35.03 29.47 2d9x n LYS 112 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 2d9x s ASN 113 N -3.75 -0.13 0.61 3.14 2.20 -1.26 -5.17 114.94 110.58 2d9x s ASN 113 Ca 0.26 -0.09 -0.07 0.00 -0.94 0.00 0.00 52.86 52.03 2d9x s ASN 113 Cb -0.11 0.32 0.01 0.00 -2.00 0.00 0.00 41.25 39.47 2d9x s ASN 113 CO 0.65 -0.53 0.93 0.54 -2.94 0.00 0.00 177.10 175.75 2d9x s ASN 114 N -1.71 5.56 0.61 3.54 4.22 -1.26 -5.08 114.94 120.82 2d9x s ASN 114 Ca -0.09 0.77 -0.08 0.00 -2.14 0.00 0.00 52.86 51.32 2d9x s ASN 114 Cb -0.03 -1.73 -0.01 0.00 1.28 0.00 0.00 41.25 40.76 2d9x s ASN 114 CO 0.00 -1.11 0.97 -0.55 -2.04 0.00 0.00 177.10 174.37 2d9x s SER 115 N -4.31 5.78 0.00 3.54 0.15 -1.26 -5.10 113.70 112.49 2d9x s SER 115 Ca 0.55 1.01 0.00 0.00 0.70 0.00 0.00 55.95 58.20 2d9x s SER 115 Cb -0.11 -2.00 0.00 0.00 -1.71 0.00 0.00 66.02 62.20 2d9x s SER 115 CO 0.46 -1.03 0.00 0.61 1.20 0.00 0.00 173.24 174.48 2d9x n GLY 116 N -2.69 6.05 3.66 9.45 0.00 -1.26 -5.07 105.19 115.33 2d9x n GLY 116 Ca 0.05 -2.01 -0.42 0.00 0.00 0.00 0.00 46.02 43.63 2d9x n GLY 116 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2d9x s PRO 117 N 1.64 4.20 0.30 1.61 0.04 -1.26 -4.98 135.00 136.55 2d9x s PRO 117 Ca 0.00 2.02 -0.15 0.00 0.04 0.00 0.00 61.00 62.91 2d9x s PRO 117 Cb 0.00 -3.91 0.02 0.00 0.04 0.00 0.00 34.50 30.65 2d9x s PRO 117 CO 0.00 -0.80 0.62 -1.54 0.04 0.00 0.00 177.00 175.32 2d9x s SER 118 N 2.88 0.00 0.04 6.66 1.04 -1.26 -5.15 113.70 117.91 2d9x s SER 118 Ca 0.67 -0.94 -0.21 0.00 0.48 0.00 0.00 55.95 55.94 2d9x s SER 118 Cb -0.30 0.70 -0.06 0.00 0.10 0.00 0.00 66.02 66.46 2d9x s SER 118 CO 0.25 -1.34 0.64 -0.44 0.98 0.00 0.00 173.24 173.32 2d9x s SER 119 N -3.03 7.08 0.00 7.02 0.01 -1.26 -5.30 113.70 118.22 2d9x s SER 119 Ca 0.18 1.28 0.00 0.00 1.31 0.00 0.00 55.95 58.73 2d9x s SER 119 Cb -0.03 -2.40 0.00 0.00 0.21 0.00 0.00 66.02 63.80 2d9x s SER 119 CO 0.10 0.14 0.00 0.61 0.41 0.00 0.00 173.24 174.50