#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 0.55 0.16 1.61 0.01 -1.26 -5.15 113.70 109.62 2d9x s SER 2 Ca 0.00 -1.40 -0.01 0.00 1.31 0.00 0.00 55.95 55.85 2d9x s SER 2 Cb 0.00 0.50 -0.04 0.00 0.21 0.00 0.00 66.02 66.69 2d9x s SER 2 CO 0.00 -1.02 0.34 -0.55 0.41 0.00 0.00 173.24 172.42 2d9x s SER 3 N -3.19 6.39 0.00 2.44 0.15 -1.26 -5.09 113.70 113.14 2d9x s SER 3 Ca 0.35 0.38 0.00 0.00 0.70 0.00 0.00 55.95 57.38 2d9x s SER 3 Cb 0.03 -2.00 0.00 0.00 -1.71 0.00 0.00 66.02 62.34 2d9x s SER 3 CO 0.16 0.02 0.00 0.61 1.20 0.00 0.00 173.24 175.23 2d9x n GLY 4 N -0.37 -2.14 0.31 9.45 0.00 -1.26 -4.91 105.19 106.26 2d9x n GLY 4 Ca -0.05 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.87 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 2.10 -3.18 1.61 3.41 -1.26 -5.03 113.62 111.27 2d9x n SER 5 Ca 0.00 0.03 0.04 0.00 -0.26 0.00 0.00 58.87 58.69 2d9x n SER 5 Cb 0.00 -0.27 -0.02 0.00 -0.26 0.00 0.00 64.21 63.67 2d9x n SER 5 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2d9x s SER 6 N -5.58 -0.83 0.00 4.04 1.04 -1.26 -5.11 113.70 105.99 2d9x s SER 6 Ca -0.17 0.58 0.00 0.00 0.48 0.00 0.00 55.95 56.84 2d9x s SER 6 Cb 0.05 1.72 0.00 0.00 0.10 0.00 0.00 66.02 67.89 2d9x s SER 6 CO 0.25 -0.16 0.00 0.61 0.98 0.00 0.00 173.24 174.92 2d9x n GLY 7 N 5.42 2.29 2.02 7.32 0.00 -1.26 -5.00 105.19 115.98 2d9x n GLY 7 Ca -0.05 -0.38 -0.18 0.00 0.00 0.00 0.00 46.02 45.41 2d9x n GLY 7 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2d9x n GLU 8 N 0.00 1.92 -3.68 1.61 2.13 -1.26 -4.76 120.64 116.60 2d9x n GLU 8 Ca 0.00 -1.67 -0.09 0.00 0.66 0.00 0.00 57.16 56.06 2d9x n GLU 8 Cb 0.00 -1.72 -0.10 0.00 0.27 0.00 0.00 31.44 29.89 2d9x n GLU 8 CO 0.00 0.00 0.00 -0.80 -0.41 0.00 0.00 177.13 175.92 2d9x s ASN 9 N 0.34 -0.56 -0.14 4.31 -0.87 -1.26 -4.37 114.94 112.39 2d9x s ASN 9 Ca 0.37 1.05 -0.02 0.00 -1.57 0.00 0.00 52.86 52.69 2d9x s ASN 9 Cb 0.27 1.07 -0.02 0.00 -0.02 0.00 0.00 41.25 42.55 2d9x s ASN 9 CO -0.05 -0.21 -0.06 -0.69 -2.57 0.00 0.00 177.10 173.51 2d9x s VAL 10 N 1.78 3.68 0.20 1.60 1.01 -1.26 -5.01 120.40 122.41 2d9x s VAL 10 Ca -0.08 -0.44 -0.07 0.00 0.00 0.00 0.00 61.98 61.39 2d9x s VAL 10 Cb -0.09 -2.58 -0.02 0.00 0.00 0.00 0.00 36.38 33.69 2d9x s VAL 10 CO -0.14 0.52 0.29 -0.72 0.00 0.00 0.00 175.10 175.05 2d9x s TYR 11 N 0.17 0.63 0.00 5.22 -0.85 -1.26 0.24 117.35 121.51 2d9x s TYR 11 Ca -0.03 -0.96 0.00 0.00 -0.52 0.00 0.00 57.07 55.56 2d9x s TYR 11 Cb -0.14 -0.14 0.00 0.00 0.38 0.00 0.00 41.96 42.05 2d9x s TYR 11 CO 0.03 -0.78 0.00 0.41 -1.52 0.00 0.00 175.55 173.70 2d9x n GLY 12 N -0.28 3.80 3.64 5.49 0.00 -0.70 -5.01 105.19 112.13 2d9x n GLY 12 Ca -0.03 -0.45 -0.42 0.00 0.00 0.00 0.00 46.02 45.12 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 -1.57 1.54 0.22 1.61 1.51 -1.26 -2.87 117.35 116.53 2d9x s TYR 13 Ca 0.00 0.10 0.11 0.00 -1.01 0.00 0.00 57.07 56.27 2d9x s TYR 13 Cb 0.00 -4.06 -0.05 0.00 -0.11 0.00 0.00 41.96 37.74 2d9x s TYR 13 CO 0.00 -4.37 -0.23 -0.51 -1.11 0.00 0.00 175.55 169.33 2d9x s LEU 14 N 5.47 2.48 -0.15 -1.29 1.43 0.17 -4.49 118.68 122.29 2d9x s LEU 14 Ca 0.85 -0.91 -0.13 0.00 -1.03 0.00 0.00 54.13 52.91 2d9x s LEU 14 Cb -0.35 -1.13 -0.05 0.00 0.03 0.00 0.00 46.19 44.69 2d9x s LEU 14 CO 0.35 0.09 0.27 -0.04 0.23 0.00 0.00 176.35 177.26 2d9x s MET 15 N -2.92 4.19 -0.06 1.70 -1.94 -1.08 -0.50 119.30 118.69 2d9x s MET 15 Ca 0.23 0.06 0.06 0.00 -1.71 0.00 0.00 55.69 54.34 2d9x s MET 15 Cb -0.07 -3.40 -0.01 0.00 2.01 0.00 0.00 34.83 33.36 2d9x s MET 15 CO 0.11 0.30 -0.25 0.21 -0.01 0.00 0.00 175.02 175.38 2d9x s LYS 16 N 0.30 2.52 -0.72 2.03 2.20 -0.37 -2.44 119.74 123.26 2d9x s LYS 16 Ca 0.16 -0.90 -0.26 0.00 -0.36 0.00 0.00 55.97 54.61 2d9x s LYS 16 Cb -0.13 -2.14 0.00 0.00 -1.51 0.00 0.00 37.83 34.05 2d9x s LYS 16 CO 0.04 0.38 1.61 -0.47 -0.36 0.00 0.00 175.35 176.54 2d9x s TYR 17 N -0.16 1.99 -0.02 4.03 6.14 -1.20 -2.00 117.35 126.11 2d9x s TYR 17 Ca -0.03 0.31 -0.23 0.00 0.64 0.00 0.00 57.07 57.76 2d9x s TYR 17 Cb -0.14 -4.35 -0.22 0.00 0.42 0.00 0.00 41.96 37.68 2d9x s TYR 17 CO 0.04 -2.14 1.11 1.79 0.64 0.00 0.00 175.55 176.99 2d9x h THR 18 N 6.58 1.48 -2.82 4.34 1.35 -1.90 -3.49 112.91 118.45 2d9x h THR 18 Ca -0.20 -1.80 0.05 0.00 -0.55 0.00 0.00 66.41 63.91 2d9x h THR 18 Cb 1.09 2.54 -0.01 0.00 -1.73 0.00 0.00 68.15 70.04 2d9x h THR 18 CO 1.26 0.50 0.41 0.21 -0.25 0.00 0.00 175.52 177.65 2d9x s ASN 19 N -6.30 0.03 0.00 5.36 3.84 -1.26 -5.01 114.94 111.60 2d9x s ASN 19 Ca -0.15 -1.00 0.00 0.00 0.21 0.00 0.00 52.86 51.92 2d9x s ASN 19 Cb 0.02 0.71 0.00 0.00 -0.55 0.00 0.00 41.25 41.43 2d9x s ASN 19 CO 0.75 -1.43 0.46 0.18 -2.79 0.00 0.00 177.10 174.27 2d9x n LEU 20 N -0.62 0.55 -0.31 3.21 4.32 -1.26 0.74 117.00 123.63 2d9x n LEU 20 Ca -0.06 0.57 0.03 0.00 -0.02 0.00 0.00 56.01 56.53 2d9x n LEU 20 Cb 0.60 -0.28 0.09 0.00 -1.62 0.00 0.00 43.42 42.21 2d9x n LEU 20 CO 0.25 -0.28 0.53 0.55 -1.22 0.00 0.00 177.39 177.22 2d9x n VAL 21 N -1.34 -0.38 -0.02 4.08 3.14 -1.26 0.03 118.33 122.58 2d9x n VAL 21 Ca 0.00 1.92 -0.13 0.00 -2.96 0.00 0.00 64.34 63.17 2d9x n VAL 21 Cb 0.00 -2.62 -0.09 0.00 -1.06 0.00 0.00 33.84 30.07 2d9x n VAL 21 CO 0.00 0.00 0.00 0.74 -6.46 0.00 0.00 176.83 171.11 2d9x h THR 22 N 0.00 1.38 0.00 1.55 2.02 -1.98 -3.48 112.91 112.40 2d9x h THR 22 Ca 0.37 -1.18 0.00 0.00 0.77 0.00 0.00 66.41 66.37 2d9x h THR 22 Cb 0.58 2.11 0.00 0.00 -1.74 0.00 0.00 68.15 69.09 2d9x h THR 22 CO -0.85 0.32 0.00 0.61 0.37 0.00 0.00 175.52 175.97 2d9x n GLY 23 N 0.22 1.22 3.29 2.16 0.00 0.23 -4.89 105.19 107.42 2d9x n GLY 23 Ca -0.08 -0.44 -0.17 0.00 0.00 0.00 0.00 46.02 45.33 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 1.49 -0.10 1.61 0.52 -1.26 -3.42 118.94 117.78 2d9x s TRP 24 Ca 0.00 -0.64 -0.07 0.00 0.02 0.00 0.00 56.10 55.41 2d9x s TRP 24 Cb 0.00 -0.73 0.04 0.00 -1.15 0.00 0.00 33.47 31.63 2d9x s TRP 24 CO 0.00 0.22 0.25 -0.65 0.02 0.00 0.00 176.95 176.79 2d9x s GLN 25 N -3.54 0.24 0.13 4.98 -0.21 -0.85 -4.90 119.66 115.53 2d9x s GLN 25 Ca 0.18 0.47 -0.30 0.00 0.02 0.00 0.00 55.36 55.73 2d9x s GLN 25 Cb -0.00 -0.02 -0.07 0.00 1.00 0.00 0.00 33.01 33.92 2d9x s GLN 25 CO 0.04 -0.12 1.17 0.71 -2.12 0.00 0.00 175.29 174.97 2d9x s TYR 26 N 0.85 3.48 0.17 0.91 2.02 -1.26 -1.24 117.35 122.28 2d9x s TYR 26 Ca -0.06 1.43 -0.10 0.00 -0.37 0.00 0.00 57.07 57.96 2d9x s TYR 26 Cb -0.07 -3.38 -0.00 0.00 -0.40 0.00 0.00 41.96 38.11 2d9x s TYR 26 CO -0.05 -1.06 0.32 1.03 -1.57 0.00 0.00 175.55 174.22 2d9x s ARG 27 N 0.25 1.18 -0.09 -0.62 0.52 0.34 -4.97 118.95 115.58 2d9x s ARG 27 Ca 0.54 -1.11 -0.14 0.00 -0.52 0.00 0.00 55.73 54.50 2d9x s ARG 27 Cb -0.30 0.40 -0.05 0.00 0.52 0.00 0.00 34.95 35.52 2d9x s ARG 27 CO 0.33 -0.45 0.34 0.12 0.02 0.00 0.00 175.30 175.67 2d9x s PHE 28 N -3.95 3.59 -0.01 -0.53 5.36 0.04 0.42 117.98 122.91 2d9x s PHE 28 Ca 0.15 0.78 0.06 0.00 -0.96 0.00 0.00 56.93 56.96 2d9x s PHE 28 Cb 0.03 -2.30 -0.02 0.00 -0.34 0.00 0.00 43.02 40.39 2d9x s PHE 28 CO -0.01 0.44 -0.18 -0.06 -1.46 0.00 0.00 175.22 173.95 2d9x s PHE 29 N -0.28 1.61 -0.30 10.12 0.40 -1.14 0.26 117.98 128.66 2d9x s PHE 29 Ca 0.20 -0.31 -0.02 0.00 -0.60 0.00 0.00 56.93 56.20 2d9x s PHE 29 Cb -0.15 -1.03 0.10 0.00 0.51 0.00 0.00 43.02 42.46 2d9x s PHE 29 CO 0.08 -0.01 0.10 0.08 0.70 0.00 0.00 175.22 176.17 2d9x s VAL 30 N -0.48 0.58 0.45 -0.44 1.01 -1.15 -1.72 120.40 118.66 2d9x s VAL 30 Ca 0.07 -1.15 -0.24 0.00 0.00 0.00 0.00 61.98 60.66 2d9x s VAL 30 Cb -0.07 -1.42 -0.08 0.00 0.00 0.00 0.00 36.38 34.81 2d9x s VAL 30 CO -0.00 -0.65 1.20 -0.22 0.00 0.00 0.00 175.10 175.42 2d9x s LEU 31 N 1.77 4.06 -0.25 3.92 2.96 0.14 -3.98 118.68 127.30 2d9x s LEU 31 Ca 0.09 2.39 0.02 0.00 -0.22 0.00 0.00 54.13 56.40 2d9x s LEU 31 Cb -0.17 -4.16 0.05 0.00 0.50 0.00 0.00 46.19 42.41 2d9x s LEU 31 CO -0.27 -0.91 -0.11 0.21 -1.32 0.00 0.00 176.35 173.95 2d9x s ASN 32 N -1.21 4.29 -0.01 3.68 2.47 -0.87 -4.02 114.94 119.27 2d9x s ASN 32 Ca 0.62 -1.23 -0.09 0.00 0.42 0.00 0.00 52.86 52.58 2d9x s ASN 32 Cb -0.31 -1.57 -0.31 0.00 -1.45 0.00 0.00 41.25 37.62 2d9x s ASN 32 CO 0.38 -0.16 0.83 -1.13 -3.72 0.00 0.00 177.10 173.29 2d9x h ASN 33 N 7.84 0.58 -0.75 -4.21 -0.00 -1.88 0.74 115.58 117.90 2d9x h ASN 33 Ca -0.24 -0.77 0.07 0.00 -0.00 0.00 0.00 56.30 55.35 2d9x h ASN 33 Cb 1.06 -0.19 -0.05 0.00 -0.00 0.00 0.00 38.32 39.15 2d9x h ASN 33 CO 0.50 1.64 0.49 -0.08 -0.00 0.00 0.00 177.43 179.99 2d9x h GLU 34 N 0.10 0.77 0.00 6.67 4.81 -1.94 -3.24 114.58 121.76 2d9x h GLU 34 Ca -0.28 -0.05 -0.30 0.00 -0.13 0.00 0.00 59.36 58.60 2d9x h GLU 34 Cb 2.08 -0.17 -0.05 0.00 0.63 0.00 0.00 28.75 31.24 2d9x h GLU 34 CO 0.20 0.51 -2.12 0.00 -0.73 0.00 0.00 179.01 176.87 2d9x n ALA 35 N -2.44 1.60 -0.50 2.92 0.00 -1.25 -5.04 120.51 115.79 2d9x n ALA 35 Ca 0.11 -0.83 0.00 0.00 0.00 0.00 0.00 53.44 52.72 2d9x n ALA 35 Cb 0.23 0.09 0.00 0.00 0.00 0.00 0.00 19.45 19.77 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 2.39 1.57 3.43 0.00 0.00 0.26 -5.02 105.19 107.82 2d9x n GLY 36 Ca -0.36 -0.22 -0.32 0.00 0.00 0.00 0.00 46.02 45.13 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 -0.01 2.55 -0.34 0.99 1.43 -1.05 -3.01 118.68 119.24 2d9x s LEU 37 Ca 0.00 -0.32 -0.10 0.00 -1.03 0.00 0.00 54.13 52.69 2d9x s LEU 37 Cb 0.00 -1.50 0.01 0.00 0.03 0.00 0.00 46.19 44.74 2d9x s LEU 37 CO 0.00 0.32 0.16 -0.22 0.23 0.00 0.00 176.35 176.84 2d9x s LEU 38 N -0.90 4.36 0.40 1.79 2.96 -0.59 -2.05 118.68 124.65 2d9x s LEU 38 Ca 0.12 -0.80 0.08 0.00 -0.22 0.00 0.00 54.13 53.31 2d9x s LEU 38 Cb -0.10 -1.99 -0.06 0.00 0.50 0.00 0.00 46.19 44.54 2d9x s LEU 38 CO 0.01 -0.29 0.12 -1.61 -1.32 0.00 0.00 176.35 173.27 2d9x s GLU 39 N 1.56 2.16 -0.21 1.98 2.02 -1.26 -1.06 118.70 123.89 2d9x s GLU 39 Ca 0.03 -1.86 -0.10 0.00 0.02 0.00 0.00 54.97 53.06 2d9x s GLU 39 Cb -0.18 -1.92 0.08 0.00 0.10 0.00 0.00 34.13 32.21 2d9x s GLU 39 CO 0.06 -0.05 0.48 1.52 0.02 0.00 0.00 175.26 177.28 2d9x s TYR 40 N -2.60 -0.80 0.08 1.61 1.13 -1.17 -2.92 117.35 112.67 2d9x s TYR 40 Ca 0.39 1.59 0.08 0.00 -1.41 0.00 0.00 57.07 57.72 2d9x s TYR 40 Cb 0.04 0.39 -0.04 0.00 -1.10 0.00 0.00 41.96 41.25 2d9x s TYR 40 CO 0.21 -0.44 -0.20 -0.06 -2.51 0.00 0.00 175.55 172.55 2d9x s PHE 41 N 1.92 2.50 0.25 -3.49 0.40 0.14 -3.05 117.98 116.66 2d9x s PHE 41 Ca -0.07 -0.29 0.04 0.00 -0.60 0.00 0.00 56.93 56.01 2d9x s PHE 41 Cb -0.09 -1.39 0.66 0.00 0.51 0.00 0.00 43.02 42.70 2d9x s PHE 41 CO -0.15 0.30 1.21 0.28 0.70 0.00 0.00 175.22 177.57 2d9x n VAL 42 N 1.24 -0.33 -3.82 -0.44 0.31 -1.26 -0.78 118.33 113.25 2d9x n VAL 42 Ca -0.16 1.68 -0.08 0.00 -0.01 0.00 0.00 64.34 65.77 2d9x n VAL 42 Cb 0.52 -2.50 0.02 0.00 -0.91 0.00 0.00 33.84 30.97 2d9x n VAL 42 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 2d9x s ASN 43 N -4.95 -0.04 0.07 4.52 0.01 -1.26 -3.33 114.94 109.96 2d9x s ASN 43 Ca -0.10 -1.04 -0.26 0.00 -0.71 0.00 0.00 52.86 50.75 2d9x s ASN 43 Cb 0.23 0.83 -0.11 0.00 0.41 0.00 0.00 41.25 42.61 2d9x s ASN 43 CO 0.60 -1.62 1.41 -0.08 -1.51 0.00 0.00 177.10 175.90 2d9x h GLU 44 N 2.00 -0.56 -1.63 -0.60 4.81 -1.92 -0.46 114.58 116.22 2d9x h GLU 44 Ca -0.30 0.04 0.47 0.00 -0.13 0.00 0.00 59.36 59.45 2d9x h GLU 44 Cb 1.25 0.13 -0.07 0.00 0.63 0.00 0.00 28.75 30.69 2d9x h GLU 44 CO 0.37 -0.37 1.17 0.94 -0.73 0.00 0.00 179.01 180.39 2d9x n GLN 45 N -4.67 -0.00 -1.28 1.92 7.27 -1.26 0.36 117.38 119.72 2d9x n GLN 45 Ca -0.07 0.90 -0.22 0.00 0.07 0.00 0.00 57.00 57.69 2d9x n GLN 45 Cb 0.31 -2.07 -0.06 0.00 2.41 0.00 0.00 30.24 30.83 2d9x n GLN 45 CO 0.00 0.00 0.00 0.43 0.07 0.00 0.00 177.06 177.56 2d9x n SER 46 N -3.62 6.26 -0.06 1.69 7.64 -0.18 -4.46 113.62 120.89 2d9x n SER 46 Ca 0.37 -3.05 -0.06 0.00 1.01 0.00 0.00 58.87 57.14 2d9x n SER 46 Cb 1.66 -1.23 -0.03 0.00 -1.01 0.00 0.00 64.21 63.60 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 2.66 0.00 -0.20 1.43 3.08 -0.26 -3.38 114.38 117.71 2d9x h ARG 47 Ca 0.33 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 60.23 2d9x h ARG 47 Cb 0.89 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.93 2d9x h ARG 47 CO 0.74 0.24 -0.50 -0.91 -1.07 0.00 0.00 179.97 178.47 2d9x h ASN 48 N -1.00 0.59 -3.36 7.04 4.21 -1.85 -3.46 115.58 117.76 2d9x h ASN 48 Ca -0.03 -0.30 -0.54 0.00 1.21 0.00 0.00 56.30 56.63 2d9x h ASN 48 Cb 0.43 -0.17 0.20 0.00 -1.12 0.00 0.00 38.32 37.66 2d9x h ASN 48 CO -0.02 0.99 -0.47 0.00 -1.29 0.00 0.00 177.43 176.64 2d9x n GLN 49 N -3.98 -0.04 -1.71 0.81 6.02 -1.26 -4.85 117.38 112.38 2d9x n GLN 49 Ca -0.03 0.04 -0.43 0.00 -0.01 0.00 0.00 57.00 56.57 2d9x n GLN 49 Cb 0.57 -1.87 -0.02 0.00 1.02 0.00 0.00 30.24 29.95 2d9x n GLN 49 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.06 177.22 2d9x n LYS 50 N -1.36 2.38 -2.22 -1.09 0.00 -1.26 -4.93 118.16 109.68 2d9x n LYS 50 Ca 0.08 0.85 -0.42 0.00 0.00 0.00 0.00 58.31 58.82 2d9x n LYS 50 Cb 0.52 -2.57 -0.03 0.00 0.00 0.00 0.00 35.03 32.95 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 -0.46 4.37 0.32 1.64 0.04 -1.26 -4.93 135.00 134.73 2d9x s PRO 51 Ca 0.66 2.04 0.02 0.00 0.04 0.00 0.00 61.00 63.75 2d9x s PRO 51 Cb -0.57 -3.22 0.58 0.00 0.04 0.00 0.00 34.50 31.33 2d9x s PRO 51 CO 0.49 -0.30 1.94 0.00 0.04 0.00 0.00 177.00 179.17 2d9x h ARG 52 N 5.87 0.93 -1.74 4.56 2.47 -1.90 -3.45 114.38 121.13 2d9x h ARG 52 Ca -0.44 -0.06 0.02 0.00 -1.26 0.00 0.00 59.98 58.25 2d9x h ARG 52 Cb 1.21 -0.21 -0.22 0.00 -1.65 0.00 0.00 29.97 29.10 2d9x h ARG 52 CO 0.80 0.62 0.38 0.20 0.56 0.00 0.00 179.97 182.53 2d9x s GLY 53 N -3.43 -0.37 0.05 0.04 0.00 -1.26 -5.06 107.32 97.30 2d9x s GLY 53 Ca -0.11 1.93 0.05 0.00 0.00 0.00 0.00 44.72 46.59 2d9x s GLY 53 CO 0.79 1.21 -0.14 -0.51 0.00 0.00 0.00 173.10 174.45 2d9x s THR 54 N -0.76 1.09 -0.04 0.90 -4.23 -1.26 -3.04 115.64 108.29 2d9x s THR 54 Ca -0.04 -1.13 0.00 0.00 -1.18 0.00 0.00 61.69 59.34 2d9x s THR 54 Cb -0.02 -1.02 0.03 0.00 1.34 0.00 0.00 72.50 72.83 2d9x s THR 54 CO 0.03 -0.11 -0.01 -0.22 -0.54 0.00 0.00 174.62 173.77 2d9x s LEU 55 N -1.41 1.04 0.30 4.79 2.96 -0.23 -4.97 118.68 121.16 2d9x s LEU 55 Ca -0.00 -0.06 -0.29 0.00 -0.22 0.00 0.00 54.13 53.56 2d9x s LEU 55 Cb -0.09 -0.32 -0.10 0.00 0.50 0.00 0.00 46.19 46.18 2d9x s LEU 55 CO 0.02 -0.11 1.14 -1.10 -1.32 0.00 0.00 176.35 174.97 2d9x s GLN 56 N 1.24 4.53 -0.22 1.98 -0.21 -1.26 -1.55 119.66 124.17 2d9x s GLN 56 Ca -0.06 1.87 0.09 0.00 0.02 0.00 0.00 55.36 57.28 2d9x s GLN 56 Cb -0.13 -3.10 -0.21 0.00 1.00 0.00 0.00 33.01 30.56 2d9x s GLN 56 CO -0.02 0.09 -0.06 1.28 -2.12 0.00 0.00 175.29 174.46 2d9x n LEU 57 N 0.98 1.59 -4.50 2.90 4.77 -1.16 -4.78 117.00 116.80 2d9x n LEU 57 Ca -0.00 -0.05 -0.30 0.00 -0.03 0.00 0.00 56.01 55.62 2d9x n LEU 57 Cb 0.45 -0.26 -0.19 0.00 -2.33 0.00 0.00 43.42 41.08 2d9x n LEU 57 CO 0.54 0.73 2.14 0.00 -1.33 0.00 0.00 177.39 179.47 2d9x n ALA 58 N -3.01 0.75 -0.90 -1.18 0.00 -1.26 0.29 120.51 115.21 2d9x n ALA 58 Ca -0.39 -0.59 0.00 0.00 0.00 0.00 0.00 53.44 52.46 2d9x n ALA 58 Cb 1.07 -2.36 0.00 0.00 0.00 0.00 0.00 19.45 18.16 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 5.96 0.69 3.73 0.00 0.00 -1.24 -4.70 105.19 109.63 2d9x n GLY 59 Ca 0.67 -0.23 -0.27 0.00 0.00 0.00 0.00 46.02 46.18 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 -2.06 3.67 0.01 4.61 0.00 0.15 -1.57 121.76 126.57 2d9x s ALA 60 Ca 0.00 -1.74 0.03 0.00 0.00 0.00 0.00 51.96 50.25 2d9x s ALA 60 Cb 0.00 -0.20 -0.01 0.00 0.00 0.00 0.00 23.12 22.91 2d9x s ALA 60 CO 0.00 -0.16 -0.09 0.08 0.00 0.00 0.00 175.76 175.59 2d9x s VAL 61 N -2.70 0.72 -0.20 0.00 1.01 -1.24 -4.89 120.40 113.10 2d9x s VAL 61 Ca 0.32 -0.60 -0.02 0.00 0.00 0.00 0.00 61.98 61.67 2d9x s VAL 61 Cb 0.04 -0.65 0.00 0.00 0.00 0.00 0.00 36.38 35.78 2d9x s VAL 61 CO 0.17 0.05 -0.10 -0.63 0.00 0.00 0.00 175.10 174.60 2d9x s ILE 62 N -0.52 2.94 -0.31 2.22 1.09 -1.26 0.34 121.20 125.69 2d9x s ILE 62 Ca 0.01 -0.64 0.01 0.00 -1.10 0.00 0.00 60.65 58.92 2d9x s ILE 62 Cb -0.05 -2.31 0.10 0.00 -1.06 0.00 0.00 42.46 39.14 2d9x s ILE 62 CO 0.00 0.47 0.07 -0.55 -0.10 0.00 0.00 174.94 174.83 2d9x s SER 63 N 1.34 4.18 -0.50 3.58 0.15 -1.21 -5.01 113.70 116.23 2d9x s SER 63 Ca 0.04 -1.72 -0.27 0.00 0.70 0.00 0.00 55.95 54.70 2d9x s SER 63 Cb -0.14 -1.08 -0.02 0.00 -1.71 0.00 0.00 66.02 63.07 2d9x s SER 63 CO -0.06 -0.39 1.80 -2.16 1.20 0.00 0.00 173.24 173.63 2d9x s PRO 64 N 1.42 2.94 0.78 5.44 0.04 -1.26 -2.88 135.00 141.47 2d9x s PRO 64 Ca 0.09 0.90 -0.15 0.00 0.04 0.00 0.00 61.00 61.88 2d9x s PRO 64 Cb -0.18 -4.29 0.00 0.00 0.04 0.00 0.00 34.50 30.07 2d9x s PRO 64 CO -0.19 -2.34 0.70 0.45 0.04 0.00 0.00 177.00 175.66 2d9x n SER 65 N 11.60 -0.68 -1.79 6.66 2.88 -1.24 -4.92 113.62 126.13 2d9x n SER 65 Ca 0.21 0.56 -0.19 0.00 -1.33 0.00 0.00 58.87 58.11 2d9x n SER 65 Cb 0.50 -1.30 0.12 0.00 -0.75 0.00 0.00 64.21 62.78 2d9x n SER 65 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2d9x n ASP 66 N -1.21 4.56 -0.03 -3.46 9.92 -1.26 -4.70 116.55 120.36 2d9x n ASP 66 Ca 0.11 -3.77 -0.02 0.00 -0.53 0.00 0.00 54.79 50.58 2d9x n ASP 66 Cb 0.50 -0.66 -0.01 0.00 -0.64 0.00 0.00 41.12 40.32 2d9x n ASP 66 CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 2d9x h GLU 67 N 1.57 0.00 -6.71 -1.24 5.08 -1.95 -3.48 114.58 107.85 2d9x h GLU 67 Ca 0.40 0.00 -0.67 0.00 -1.00 0.00 0.00 59.36 58.09 2d9x h GLU 67 Cb 1.53 0.00 -0.18 0.00 0.50 0.00 0.00 28.75 30.60 2d9x h GLU 67 CO 0.86 0.00 -0.80 -0.51 -1.00 0.00 0.00 179.01 177.56 2d9x s ASP 68 N -4.61 3.87 0.26 1.42 1.11 -1.26 -5.02 116.67 112.43 2d9x s ASP 68 Ca -0.07 -0.58 -0.05 0.00 0.18 0.00 0.00 52.55 52.03 2d9x s ASP 68 Cb 0.01 -0.53 0.49 0.00 1.07 0.00 0.00 42.92 43.96 2d9x s ASP 68 CO 0.10 0.17 1.40 -0.24 1.18 0.00 0.00 175.17 177.78 2d9x n SER 69 N 0.73 -0.26 -4.27 0.27 2.88 -1.26 -3.40 113.62 108.30 2d9x n SER 69 Ca -0.15 1.54 -0.40 0.00 -1.33 0.00 0.00 58.87 58.53 2d9x n SER 69 Cb 0.53 -0.49 -0.10 0.00 -0.75 0.00 0.00 64.21 63.40 2d9x n SER 69 CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 2d9x s HIS 70 N -6.06 3.33 -0.23 0.66 3.76 -1.26 -4.70 115.29 110.79 2d9x s HIS 70 Ca -0.13 -1.51 -0.27 0.00 -0.15 0.00 0.00 55.06 53.01 2d9x s HIS 70 Cb 0.25 -2.89 0.12 0.00 1.11 0.00 0.00 32.58 31.17 2d9x s HIS 70 CO 0.70 -0.83 0.99 0.99 -0.85 0.00 0.00 174.74 175.74 2d9x s THR 71 N 1.43 0.00 -0.17 1.30 2.01 -1.22 -4.61 115.64 114.38 2d9x s THR 71 Ca 0.03 0.00 -0.31 0.00 0.31 0.00 0.00 61.69 61.72 2d9x s THR 71 Cb -0.23 -1.00 0.14 0.00 0.01 0.00 0.00 72.50 71.42 2d9x s THR 71 CO 0.02 0.00 1.09 0.72 -0.69 0.00 0.00 174.62 175.77 2d9x s PHE 72 N -0.22 -0.26 0.29 4.92 -0.12 -1.10 -3.64 117.98 117.85 2d9x s PHE 72 Ca 0.01 0.37 0.08 0.00 -0.05 0.00 0.00 56.93 57.35 2d9x s PHE 72 Cb -0.03 0.48 -0.06 0.00 -0.63 0.00 0.00 43.02 42.78 2d9x s PHE 72 CO -0.03 -0.28 -0.10 0.95 -0.05 0.00 0.00 175.22 175.71 2d9x s THR 73 N -1.54 1.96 -0.39 -4.49 -4.23 -1.14 -2.61 115.64 103.21 2d9x s THR 73 Ca 0.03 -2.21 0.01 0.00 -1.18 0.00 0.00 61.69 58.34 2d9x s THR 73 Cb -0.01 -2.43 0.12 0.00 1.34 0.00 0.00 72.50 71.53 2d9x s THR 73 CO -0.03 -0.33 0.19 -0.69 -0.54 0.00 0.00 174.62 173.22 2d9x s VAL 74 N -2.81 1.09 1.18 2.29 1.01 -0.90 -3.29 120.40 118.98 2d9x s VAL 74 Ca 0.29 -2.08 -0.14 0.00 0.00 0.00 0.00 61.98 60.05 2d9x s VAL 74 Cb 0.01 -1.78 0.29 0.00 0.00 0.00 0.00 36.38 34.90 2d9x s VAL 74 CO 0.13 -0.83 1.03 0.20 0.00 0.00 0.00 175.10 175.62 2d9x s ASN 75 N 0.85 0.89 -0.04 3.32 0.01 0.15 -2.71 114.94 117.41 2d9x s ASN 75 Ca 0.15 1.32 -0.04 0.00 -0.71 0.00 0.00 52.86 53.58 2d9x s ASN 75 Cb -0.22 -2.04 0.01 0.00 0.41 0.00 0.00 41.25 39.41 2d9x s ASN 75 CO -0.08 -4.23 0.12 0.00 -1.51 0.00 0.00 177.10 171.40 2d9x s ALA 76 N -2.54 -0.28 0.15 0.60 0.00 0.72 -3.58 121.76 116.82 2d9x s ALA 76 Ca 0.68 0.26 -0.28 0.00 0.00 0.00 0.00 51.96 52.62 2d9x s ALA 76 Cb -0.22 -0.15 -0.01 0.00 0.00 0.00 0.00 23.12 22.73 2d9x s ALA 76 CO 0.63 -0.08 1.57 0.00 0.00 0.00 0.00 175.76 177.88 2d9x h ALA 77 N 5.75 -0.48 -0.84 0.00 0.00 -1.57 0.37 119.26 122.49 2d9x h ALA 77 Ca -0.26 0.06 0.21 0.00 0.00 0.00 0.00 54.91 54.93 2d9x h ALA 77 Cb 1.20 0.98 -0.13 0.00 0.00 0.00 0.00 17.79 19.84 2d9x h ALA 77 CO 0.43 -0.90 0.25 0.77 0.00 0.00 0.00 179.25 179.81 2d9x h SER 78 N -0.31 0.08 0.00 0.00 0.02 -1.94 -3.45 113.55 107.96 2d9x h SER 78 Ca 0.14 0.17 0.00 0.00 -0.84 0.00 0.00 61.79 61.26 2d9x h SER 78 Cb 0.58 0.21 0.00 0.00 0.14 0.00 0.00 62.40 63.33 2d9x h SER 78 CO -0.62 -0.08 0.00 0.61 -1.14 0.00 0.00 176.83 175.60 2d9x n GLY 79 N -1.36 0.46 3.16 -3.77 0.00 0.12 -5.17 105.19 98.63 2d9x n GLY 79 Ca 0.19 -0.05 -0.19 0.00 0.00 0.00 0.00 46.02 45.97 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 0.88 -0.01 1.61 2.56 -1.22 -4.94 118.70 117.58 2d9x s GLU 80 Ca 0.00 -0.87 0.06 0.00 0.00 0.00 0.00 54.97 54.16 2d9x s GLU 80 Cb 0.00 -0.89 -0.02 0.00 2.00 0.00 0.00 34.13 35.22 2d9x s GLU 80 CO 0.00 0.21 -0.20 -1.14 -0.56 0.00 0.00 175.26 173.56 2d9x s GLN 81 N -1.47 1.65 -0.16 4.30 0.74 -1.26 -0.20 119.66 123.25 2d9x s GLN 81 Ca -0.00 -0.74 -0.01 0.00 0.05 0.00 0.00 55.36 54.66 2d9x s GLN 81 Cb -0.09 -1.60 -0.01 0.00 1.10 0.00 0.00 33.01 32.41 2d9x s GLN 81 CO 0.02 0.44 -0.13 0.71 -0.55 0.00 0.00 175.29 175.78 2d9x s TYR 82 N -0.49 2.83 -0.58 1.67 1.51 -1.10 -4.93 117.35 116.26 2d9x s TYR 82 Ca 0.08 -0.95 -0.18 0.00 -1.01 0.00 0.00 57.07 55.01 2d9x s TYR 82 Cb -0.08 -1.92 0.11 0.00 -0.11 0.00 0.00 41.96 39.96 2d9x s TYR 82 CO -0.01 -0.44 0.65 0.21 -1.11 0.00 0.00 175.55 174.85 2d9x s LYS 83 N 0.86 3.03 0.29 -0.62 2.20 -1.26 -2.11 119.74 122.13 2d9x s LYS 83 Ca -0.04 -1.44 0.08 0.00 -0.36 0.00 0.00 55.97 54.21 2d9x s LYS 83 Cb -0.15 -4.28 -0.06 0.00 -1.51 0.00 0.00 37.83 31.83 2d9x s LYS 83 CO -0.00 -1.48 -0.08 -0.51 -0.36 0.00 0.00 175.35 172.91 2d9x s LEU 84 N 2.36 2.55 -0.06 5.43 1.43 -1.07 -3.27 118.68 126.05 2d9x s LEU 84 Ca 0.09 -1.17 -0.02 0.00 -1.03 0.00 0.00 54.13 52.00 2d9x s LEU 84 Cb -0.26 -0.75 0.04 0.00 0.03 0.00 0.00 46.19 45.25 2d9x s LEU 84 CO 0.05 -0.27 0.13 -0.60 0.23 0.00 0.00 176.35 175.88 2d9x s ARG 85 N -3.68 0.05 1.29 1.70 3.52 -1.02 -2.71 118.95 118.09 2d9x s ARG 85 Ca 0.30 0.39 -0.20 0.00 -0.13 0.00 0.00 55.73 56.09 2d9x s ARG 85 Cb 0.03 -0.23 0.32 0.00 -1.56 0.00 0.00 34.95 33.50 2d9x s ARG 85 CO 0.13 -0.21 1.02 0.00 -0.81 0.00 0.00 175.30 175.42 2d9x s ALA 86 N 1.50 -0.12 -0.20 6.12 0.00 -1.26 -2.64 121.76 125.16 2d9x s ALA 86 Ca -0.05 -0.75 0.19 0.00 0.00 0.00 0.00 51.96 51.35 2d9x s ALA 86 Cb -0.12 -2.97 0.30 0.00 0.00 0.00 0.00 23.12 20.33 2d9x s ALA 86 CO -0.05 -4.04 1.56 0.00 0.00 0.00 0.00 175.76 173.23 2d9x h THR 87 N -2.93 0.53 -2.88 0.00 1.03 -1.90 -3.46 112.91 103.31 2d9x h THR 87 Ca -0.47 -1.65 0.04 0.00 -0.01 0.00 0.00 66.41 64.32 2d9x h THR 87 Cb 1.32 2.18 -0.02 0.00 -1.07 0.00 0.00 68.15 70.56 2d9x h THR 87 CO 0.35 0.29 0.33 -1.81 -0.01 0.00 0.00 175.52 174.67 2d9x s ASP 88 N -6.33 -0.07 0.25 0.00 1.01 -1.26 -5.01 116.67 105.26 2d9x s ASP 88 Ca 0.04 -0.90 0.24 0.00 0.71 0.00 0.00 52.55 52.64 2d9x s ASP 88 Cb 0.07 0.74 0.96 0.00 1.01 0.00 0.00 42.92 45.70 2d9x s ASP 88 CO 0.70 -1.45 1.71 0.00 0.21 0.00 0.00 175.17 176.34 2d9x n ALA 89 N -0.54 1.72 0.01 5.23 0.00 -1.26 -1.88 120.51 123.78 2d9x n ALA 89 Ca -0.06 0.07 -0.22 0.00 0.00 0.00 0.00 53.44 53.23 2d9x n ALA 89 Cb 0.60 -1.39 -0.14 0.00 0.00 0.00 0.00 19.45 18.52 2d9x n ALA 89 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2d9x h LYS 90 N 0.00 0.25 0.00 0.00 3.11 -1.95 -3.35 116.57 114.64 2d9x h LYS 90 Ca 0.00 -0.43 0.00 0.00 -2.81 0.00 0.00 60.65 57.41 2d9x h LYS 90 Cb 0.40 0.16 0.00 0.00 -1.00 0.00 0.00 32.23 31.78 2d9x h LYS 90 CO 0.00 1.20 0.00 1.49 -2.81 0.00 0.00 179.45 179.33 2d9x h GLU 91 N -0.22 0.00 0.64 1.90 4.81 -1.93 -3.32 114.58 116.46 2d9x h GLU 91 Ca -0.34 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 58.86 2d9x h GLU 91 Cb 1.83 0.00 0.01 0.00 0.63 0.00 0.00 28.75 31.22 2d9x h GLU 91 CO 0.06 0.00 -0.31 -0.09 -0.73 0.00 0.00 179.01 177.94 2d9x h ARG 92 N 0.00 -0.82 -0.86 1.92 1.12 -1.50 -2.73 114.38 111.51 2d9x h ARG 92 Ca 0.00 0.06 0.21 0.00 -1.11 0.00 0.00 59.98 59.14 2d9x h ARG 92 Cb 0.62 0.19 -0.13 0.00 -0.01 0.00 0.00 29.97 30.64 2d9x h ARG 92 CO 0.00 -0.55 0.29 -0.56 -3.11 0.00 0.00 179.97 176.04 2d9x h GLN 93 N -0.96 0.29 0.10 0.20 3.07 -1.72 -1.11 115.11 114.98 2d9x h GLN 93 Ca -0.09 -0.02 0.02 0.00 0.09 0.00 0.00 58.65 58.65 2d9x h GLN 93 Cb 0.65 -0.07 -0.05 0.00 0.08 0.00 0.00 27.48 28.10 2d9x h GLN 93 CO 0.14 0.19 -0.47 1.25 0.09 0.00 0.00 178.83 180.03 2d9x h HIS 94 N 0.30 -1.36 -0.47 0.06 2.76 -1.66 0.11 115.15 114.90 2d9x h HIS 94 Ca 0.53 0.04 0.07 0.00 -2.20 0.00 0.00 60.37 58.80 2d9x h HIS 94 Cb 1.01 0.58 -0.06 0.00 1.55 0.00 0.00 27.41 30.49 2d9x h HIS 94 CO -0.21 -0.56 0.15 -1.49 -1.30 0.00 0.00 177.93 174.52 2d9x h TRP 95 N -0.69 0.26 -0.05 5.26 4.06 -0.93 0.40 115.95 124.26 2d9x h TRP 95 Ca 0.01 0.02 0.04 0.00 2.06 0.00 0.00 58.89 61.03 2d9x h TRP 95 Cb 0.72 -0.05 -0.05 0.00 -1.00 0.00 0.00 29.16 28.78 2d9x h TRP 95 CO -0.42 0.08 -0.30 0.28 -3.56 0.00 0.00 178.44 174.52 2d9x h VAL 96 N 0.32 0.33 0.88 1.49 2.07 -0.70 0.33 116.25 120.96 2d9x h VAL 96 Ca 0.23 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.70 2d9x h VAL 96 Cb 0.25 0.33 0.01 0.00 -1.52 0.00 0.00 31.29 30.35 2d9x h VAL 96 CO -0.24 0.00 -0.42 -1.28 0.02 0.00 0.00 177.57 175.64 2d9x h SER 97 N -0.42 -1.00 -0.80 0.57 0.87 -0.61 -0.84 113.55 111.31 2d9x h SER 97 Ca 0.07 0.03 0.12 0.00 -1.23 0.00 0.00 61.79 60.79 2d9x h SER 97 Cb 0.53 0.26 -0.13 0.00 -0.44 0.00 0.00 62.40 62.62 2d9x h SER 97 CO -0.29 -0.69 -0.40 0.03 -0.53 0.00 0.00 176.83 174.96 2d9x h ARG 98 N -1.23 -0.09 -0.77 2.24 2.47 -0.84 0.67 114.38 116.83 2d9x h ARG 98 Ca -0.12 0.01 0.03 0.00 -1.26 0.00 0.00 59.98 58.64 2d9x h ARG 98 Cb 0.90 0.02 -0.04 0.00 -1.65 0.00 0.00 29.97 29.20 2d9x h ARG 98 CO 0.20 -0.06 0.51 -0.07 0.56 0.00 0.00 179.97 181.11 2d9x h LEU 99 N -0.09 0.82 -1.20 3.04 3.38 -0.90 0.34 115.31 120.71 2d9x h LEU 99 Ca 0.27 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 58.16 2d9x h LEU 99 Cb 0.56 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 2d9x h LEU 99 CO -0.84 0.57 -0.33 1.56 0.09 0.00 0.00 178.44 179.49 2d9x h GLN 100 N 0.95 0.00 0.06 1.13 4.20 0.16 -0.75 115.11 120.87 2d9x h GLN 100 Ca 0.30 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.91 2d9x h GLN 100 Cb 0.03 0.00 0.01 0.00 0.30 0.00 0.00 27.48 27.82 2d9x h GLN 100 CO -0.09 0.33 -0.48 0.82 -0.67 0.00 0.00 178.83 178.74 2d9x h ILE 101 N 0.00 1.59 -0.16 2.54 2.04 0.11 -3.22 117.51 120.41 2d9x h ILE 101 Ca -0.00 -2.42 -0.02 0.00 1.00 0.00 0.00 64.86 63.42 2d9x h ILE 101 Cb 0.73 3.22 -0.01 0.00 -0.74 0.00 0.00 36.82 40.03 2d9x h ILE 101 CO 0.04 0.64 0.02 0.00 0.00 0.00 0.00 178.15 178.86 2d9x h THR 103 N 0.04 0.63 0.02 0.00 1.03 -1.29 -1.38 112.91 111.96 2d9x h THR 103 Ca 0.05 -0.17 -0.00 0.00 -0.01 0.00 0.00 66.41 66.27 2d9x h THR 103 Cb 0.32 0.08 0.00 0.00 -1.07 0.00 0.00 68.15 67.48 2d9x h THR 103 CO 0.00 0.09 -0.01 1.56 -0.01 0.00 0.00 175.52 177.16 2d9x h GLN 104 N 0.51 -0.02 -1.65 0.00 4.20 -1.54 -1.94 115.11 114.67 2d9x h GLN 104 Ca 0.48 0.00 0.48 0.00 0.06 0.00 0.00 58.65 59.67 2d9x h GLN 104 Cb 0.77 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 28.49 2d9x h GLN 104 CO -0.43 0.40 1.30 1.25 -0.67 0.00 0.00 178.83 180.68 2d9x h HIS 105 N -0.99 0.00 0.00 2.96 2.76 -0.24 0.56 115.15 120.19 2d9x h HIS 105 Ca -0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 2d9x h HIS 105 Cb 0.43 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.39 2d9x h HIS 105 CO 0.11 0.00 -0.35 0.72 -1.30 0.00 0.00 177.93 177.12 2d9x n HIS 106 N -3.80 0.45 -0.69 5.26 8.25 -0.54 -4.18 115.22 119.98 2d9x n HIS 106 Ca 0.37 0.20 0.52 0.00 -0.26 0.00 0.00 57.72 58.55 2d9x n HIS 106 Cb 1.80 -0.51 0.82 0.00 1.12 0.00 0.00 29.99 33.22 2d9x n HIS 106 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2d9x h THR 107 N -0.59 0.02 0.88 1.59 1.03 -0.49 0.18 112.91 115.53 2d9x h THR 107 Ca 0.00 0.00 -0.04 0.00 -0.01 0.00 0.00 66.41 66.36 2d9x h THR 107 Cb 0.35 0.02 0.01 0.00 -1.07 0.00 0.00 68.15 67.46 2d9x h THR 107 CO 0.00 0.00 -0.42 -0.08 -0.01 0.00 0.00 175.52 175.01 2d9x h GLU 108 N 0.00 -1.14 -0.95 0.00 4.81 -1.10 -2.87 114.58 113.33 2d9x h GLU 108 Ca 0.92 0.08 0.37 0.00 -0.13 0.00 0.00 59.36 60.60 2d9x h GLU 108 Cb 3.72 0.26 -0.14 0.00 0.63 0.00 0.00 28.75 33.22 2d9x h GLU 108 CO -0.01 -0.76 0.55 0.00 -0.73 0.00 0.00 179.01 178.06 2d9x n ALA 109 N -2.65 0.96 -2.15 2.92 0.00 0.63 -4.13 120.51 116.09 2d9x n ALA 109 Ca -0.15 0.83 -0.43 0.00 0.00 0.00 0.00 53.44 53.70 2d9x n ALA 109 Cb 0.47 -0.88 -0.03 0.00 0.00 0.00 0.00 19.45 19.01 2d9x n ALA 109 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2d9x s ILE 110 N -5.21 3.81 0.33 0.00 1.09 -1.08 -4.86 121.20 115.27 2d9x s ILE 110 Ca -0.07 0.96 0.22 0.00 -1.10 0.00 0.00 60.65 60.66 2d9x s ILE 110 Cb 0.28 -3.66 0.35 0.00 -1.06 0.00 0.00 42.46 38.37 2d9x s ILE 110 CO 0.67 -0.13 1.23 0.61 -0.10 0.00 0.00 174.94 177.22 2d9x n GLY 111 N 4.08 -0.63 3.51 6.18 0.00 -1.26 -3.56 105.19 113.50 2d9x n GLY 111 Ca 0.17 0.61 -0.43 0.00 0.00 0.00 0.00 46.02 46.37 2d9x n GLY 111 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2d9x s LYS 112 N -5.00 3.26 -0.10 1.61 2.47 -1.26 -4.98 119.74 115.73 2d9x s LYS 112 Ca -0.06 -0.42 -0.04 0.00 -1.56 0.00 0.00 55.97 53.89 2d9x s LYS 112 Cb 0.25 -4.12 0.05 0.00 -1.46 0.00 0.00 37.83 32.56 2d9x s LYS 112 CO 0.63 -1.66 0.20 0.54 0.16 0.00 0.00 175.35 175.22 2d9x s ASN 113 N 3.18 0.61 0.20 1.43 2.20 -1.23 -4.85 114.94 116.48 2d9x s ASN 113 Ca 0.29 0.43 -0.33 0.00 -0.94 0.00 0.00 52.86 52.31 2d9x s ASN 113 Cb -0.13 0.44 -0.14 0.00 -2.00 0.00 0.00 41.25 39.42 2d9x s ASN 113 CO 0.16 -0.24 1.49 -3.20 -2.94 0.00 0.00 177.10 172.37 2d9x n ASN 114 N 5.34 2.91 0.05 3.54 2.85 -1.26 -4.90 115.26 123.79 2d9x n ASN 114 Ca -0.05 1.11 -0.15 0.00 -0.11 0.00 0.00 54.58 55.39 2d9x n ASN 114 Cb 0.50 -1.43 -0.09 0.00 1.24 0.00 0.00 39.78 40.01 2d9x n ASN 114 CO 0.00 0.00 0.00 0.28 -2.11 0.00 0.00 177.26 175.43 2d9x h SER 115 N 5.01 -1.52 -4.01 1.20 0.02 -2.02 -3.48 113.55 108.76 2d9x h SER 115 Ca -0.45 0.18 0.00 0.00 -0.84 0.00 0.00 61.79 60.68 2d9x h SER 115 Cb 1.27 0.58 0.00 0.00 0.14 0.00 0.00 62.40 64.39 2d9x h SER 115 CO 0.82 -0.50 -0.59 0.61 -1.14 0.00 0.00 176.83 176.03 2d9x n GLY 116 N -1.46 -3.90 3.61 -3.77 0.00 -1.26 -4.98 105.19 93.43 2d9x n GLY 116 Ca -0.07 -0.92 -0.30 0.00 0.00 0.00 0.00 46.02 44.74 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 -4.66 -0.79 -0.04 1.61 0.04 -1.26 -5.09 135.00 124.81 2d9x s PRO 117 Ca 0.00 0.10 -0.12 0.00 0.04 0.00 0.00 61.00 61.02 2d9x s PRO 117 Cb 0.00 -1.63 0.02 0.00 0.04 0.00 0.00 34.50 32.93 2d9x s PRO 117 CO 0.00 -3.46 0.27 -1.12 0.04 0.00 0.00 177.00 172.73 2d9x s SER 118 N -3.76 -0.18 0.39 6.66 0.01 -1.26 -5.18 113.70 110.39 2d9x s SER 118 Ca 0.69 0.17 0.04 0.00 1.31 0.00 0.00 55.95 58.16 2d9x s SER 118 Cb -0.12 0.37 -0.06 0.00 0.21 0.00 0.00 66.02 66.42 2d9x s SER 118 CO 0.57 -0.33 0.05 -0.55 0.41 0.00 0.00 173.24 173.38 2d9x s SER 119 N -0.91 3.09 0.00 2.44 0.15 -1.26 -5.36 113.70 111.85 2d9x s SER 119 Ca -0.10 -1.46 0.00 0.00 0.70 0.00 0.00 55.95 55.09 2d9x s SER 119 Cb -0.05 0.00 0.00 0.00 -1.71 0.00 0.00 66.02 64.27 2d9x s SER 119 CO 0.03 -0.65 0.00 0.61 1.20 0.00 0.00 173.24 174.43