#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 0.25 -0.14 1.61 1.04 -1.26 -5.09 113.70 110.11 2d9x s SER 2 Ca 0.00 -0.94 -0.10 0.00 0.48 0.00 0.00 55.95 55.39 2d9x s SER 2 Cb 0.00 0.31 -0.06 0.00 0.10 0.00 0.00 66.02 66.37 2d9x s SER 2 CO 0.00 -0.73 -0.23 -1.20 0.98 0.00 0.00 173.24 172.06 2d9x n SER 3 N -0.06 1.43 -4.75 7.02 7.64 -1.26 -4.97 113.62 118.67 2d9x n SER 3 Ca -0.10 0.24 -0.36 0.00 1.01 0.00 0.00 58.87 59.66 2d9x n SER 3 Cb 0.63 -0.56 -0.07 0.00 -1.01 0.00 0.00 64.21 63.19 2d9x n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2d9x s GLY 4 N -5.00 2.10 -0.02 0.23 0.00 -1.26 -4.81 107.32 98.56 2d9x s GLY 4 Ca -0.22 -0.62 -0.14 0.00 0.00 0.00 0.00 44.72 43.74 2d9x s GLY 4 CO 0.30 0.14 0.38 -0.45 0.00 0.00 0.00 173.10 173.47 2d9x s SER 5 N 0.17 6.75 0.17 1.64 0.15 -1.26 -5.09 113.70 116.23 2d9x s SER 5 Ca 0.11 0.89 0.07 0.00 0.70 0.00 0.00 55.95 57.73 2d9x s SER 5 Cb -0.12 -2.23 -0.04 0.00 -1.71 0.00 0.00 66.02 61.92 2d9x s SER 5 CO 0.00 0.31 -0.01 -0.44 1.20 0.00 0.00 173.24 174.30 2d9x s SER 6 N -0.92 4.73 0.08 5.45 0.01 -1.26 -5.14 113.70 116.65 2d9x s SER 6 Ca 0.23 -0.41 0.03 0.00 1.31 0.00 0.00 55.95 57.11 2d9x s SER 6 Cb -0.16 -0.99 -0.03 0.00 0.21 0.00 0.00 66.02 65.05 2d9x s SER 6 CO 0.12 0.09 -0.09 -0.83 0.41 0.00 0.00 173.24 172.94 2d9x s GLY 7 N -2.92 0.74 -0.20 3.44 0.00 -1.26 -5.10 107.32 102.02 2d9x s GLY 7 Ca 0.27 -1.07 -0.28 0.00 0.00 0.00 0.00 44.72 43.64 2d9x s GLY 7 CO 0.18 -1.14 0.95 -1.83 0.00 0.00 0.00 173.10 171.26 2d9x s GLU 8 N -2.49 0.64 0.18 2.90 -1.05 -1.26 -5.15 118.70 112.47 2d9x s GLU 8 Ca 0.01 0.39 -0.30 0.00 -0.15 0.00 0.00 54.97 54.92 2d9x s GLU 8 Cb -0.04 0.31 -0.08 0.00 -0.44 0.00 0.00 34.13 33.87 2d9x s GLU 8 CO -0.00 -0.15 1.19 0.54 0.95 0.00 0.00 175.26 177.78 2d9x s ASN 9 N -0.52 7.11 -0.08 0.83 2.20 -1.26 -4.85 114.94 118.37 2d9x s ASN 9 Ca -0.01 2.21 0.04 0.00 -0.94 0.00 0.00 52.86 54.16 2d9x s ASN 9 Cb -0.02 -2.61 -0.00 0.00 -2.00 0.00 0.00 41.25 36.62 2d9x s ASN 9 CO -0.00 -0.36 -0.21 -0.69 -2.94 0.00 0.00 177.10 172.90 2d9x s VAL 10 N -0.04 1.81 -0.11 3.54 1.01 -1.26 -5.03 120.40 120.32 2d9x s VAL 10 Ca 0.53 -0.89 -0.14 0.00 0.00 0.00 0.00 61.98 61.47 2d9x s VAL 10 Cb -0.32 -1.56 0.03 0.00 0.00 0.00 0.00 36.38 34.53 2d9x s VAL 10 CO 0.36 0.50 0.37 -0.72 0.00 0.00 0.00 175.10 175.62 2d9x s TYR 11 N 0.23 -0.36 0.00 5.22 -0.85 -1.26 0.41 117.35 120.74 2d9x s TYR 11 Ca -0.12 0.83 0.00 0.00 -0.52 0.00 0.00 57.07 57.26 2d9x s TYR 11 Cb -0.16 0.14 0.00 0.00 0.38 0.00 0.00 41.96 42.32 2d9x s TYR 11 CO 0.06 -0.26 0.00 0.41 -1.52 0.00 0.00 175.55 174.24 2d9x n GLY 12 N 2.42 2.02 3.12 5.49 0.00 0.05 -5.00 105.19 113.29 2d9x n GLY 12 Ca -0.15 -0.58 -0.33 0.00 0.00 0.00 0.00 46.02 44.96 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 -2.06 2.71 0.14 1.61 1.51 -1.26 -0.51 117.35 119.49 2d9x s TYR 13 Ca 0.00 -1.55 0.07 0.00 -1.01 0.00 0.00 57.07 54.58 2d9x s TYR 13 Cb 0.00 -1.87 -0.04 0.00 -0.11 0.00 0.00 41.96 39.94 2d9x s TYR 13 CO 0.00 -0.75 -0.15 -0.51 -1.11 0.00 0.00 175.55 173.03 2d9x s LEU 14 N 1.19 2.43 -0.01 -1.29 1.43 0.10 -4.84 118.68 117.70 2d9x s LEU 14 Ca 0.02 -0.85 -0.26 0.00 -1.03 0.00 0.00 54.13 52.01 2d9x s LEU 14 Cb -0.14 -0.61 -0.04 0.00 0.03 0.00 0.00 46.19 45.44 2d9x s LEU 14 CO -0.10 -0.14 0.80 -0.04 0.23 0.00 0.00 176.35 177.10 2d9x s MET 15 N -2.86 4.50 0.12 1.70 -1.94 -1.03 0.16 119.30 119.95 2d9x s MET 15 Ca 0.12 1.09 0.06 0.00 -1.71 0.00 0.00 55.69 55.25 2d9x s MET 15 Cb -0.04 -3.42 -0.04 0.00 2.01 0.00 0.00 34.83 33.34 2d9x s MET 15 CO 0.04 0.10 -0.14 0.21 -0.01 0.00 0.00 175.02 175.22 2d9x s LYS 16 N 0.58 1.00 -0.73 2.03 2.20 0.73 -0.47 119.74 125.07 2d9x s LYS 16 Ca 0.42 -1.22 -0.26 0.00 -0.36 0.00 0.00 55.97 54.55 2d9x s LYS 16 Cb -0.20 -0.87 0.04 0.00 -1.51 0.00 0.00 37.83 35.29 2d9x s LYS 16 CO 0.22 0.17 1.22 -0.47 -0.36 0.00 0.00 175.35 176.13 2d9x s TYR 17 N -2.12 2.37 -0.08 4.03 6.14 -1.23 0.19 117.35 126.65 2d9x s TYR 17 Ca 0.08 -0.17 -0.24 0.00 0.64 0.00 0.00 57.07 57.38 2d9x s TYR 17 Cb -0.05 -4.56 -0.20 0.00 0.42 0.00 0.00 41.96 37.57 2d9x s TYR 17 CO 0.03 -1.99 0.89 0.00 0.64 0.00 0.00 175.55 175.12 2d9x h THR 18 N 6.03 1.29 -3.43 4.34 1.03 -1.49 -3.49 112.91 117.20 2d9x h THR 18 Ca -0.27 -1.57 -0.08 0.00 -0.01 0.00 0.00 66.41 64.47 2d9x h THR 18 Cb 1.05 2.26 -0.04 0.00 -1.07 0.00 0.00 68.15 70.35 2d9x h THR 18 CO 1.26 0.37 0.07 0.20 -0.01 0.00 0.00 175.52 177.41 2d9x s ASN 19 N -5.81 0.20 -0.02 0.00 0.01 -1.21 -4.97 114.94 103.14 2d9x s ASN 19 Ca -0.15 -1.12 -0.23 0.00 -0.71 0.00 0.00 52.86 50.65 2d9x s ASN 19 Cb -0.01 0.74 -0.15 0.00 0.41 0.00 0.00 41.25 42.24 2d9x s ASN 19 CO 0.58 -1.44 1.02 -0.07 -1.51 0.00 0.00 177.10 175.69 2d9x h LEU 20 N 2.08 -0.31 0.14 0.60 4.07 -1.95 0.83 115.31 120.77 2d9x h LEU 20 Ca -0.28 -0.22 0.01 0.00 0.08 0.00 0.00 57.88 57.46 2d9x h LEU 20 Cb 1.25 0.08 -0.02 0.00 1.08 0.00 0.00 40.66 43.05 2d9x h LEU 20 CO 0.37 0.14 -0.19 1.62 -1.08 0.00 0.00 178.44 179.30 2d9x h VAL 21 N -0.85 0.58 -0.17 1.22 3.04 -2.04 -3.07 116.25 114.96 2d9x h VAL 21 Ca -0.04 0.00 -0.07 0.00 -1.01 0.00 0.00 66.70 65.58 2d9x h VAL 21 Cb 0.51 0.58 -0.00 0.00 -2.01 0.00 0.00 31.29 30.37 2d9x h VAL 21 CO 0.06 0.00 -0.17 0.74 -1.01 0.00 0.00 177.57 177.19 2d9x h THR 22 N -0.38 1.34 0.00 3.17 2.02 -1.98 -3.49 112.91 113.60 2d9x h THR 22 Ca 0.02 -1.34 0.00 0.00 0.77 0.00 0.00 66.41 65.86 2d9x h THR 22 Cb 0.38 1.84 0.00 0.00 -1.74 0.00 0.00 68.15 68.63 2d9x h THR 22 CO -0.08 0.40 0.00 0.61 0.37 0.00 0.00 175.52 176.82 2d9x n GLY 23 N 0.20 0.53 3.85 2.16 0.00 0.29 -4.89 105.19 107.34 2d9x n GLY 23 Ca -0.06 -0.93 -0.32 0.00 0.00 0.00 0.00 46.02 44.72 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 3.41 -0.27 1.61 0.52 -1.26 -1.21 118.94 121.74 2d9x s TRP 24 Ca 0.00 1.25 -0.20 0.00 0.02 0.00 0.00 56.10 57.17 2d9x s TRP 24 Cb 0.00 -2.58 0.08 0.00 -1.15 0.00 0.00 33.47 29.81 2d9x s TRP 24 CO 0.00 -0.07 0.70 -0.65 0.02 0.00 0.00 176.95 176.95 2d9x s GLN 25 N -3.46 0.76 0.55 4.98 -0.21 0.13 -4.86 119.66 117.55 2d9x s GLN 25 Ca 0.55 1.12 -0.20 0.00 0.02 0.00 0.00 55.36 56.85 2d9x s GLN 25 Cb -0.10 0.25 -0.07 0.00 1.00 0.00 0.00 33.01 34.09 2d9x s GLN 25 CO 0.23 -0.13 0.97 0.66 -2.12 0.00 0.00 175.29 174.90 2d9x n TYR 26 N 3.64 0.89 -3.68 0.91 4.02 -1.26 -0.20 117.16 121.49 2d9x n TYR 26 Ca -0.18 0.46 -0.14 0.00 -0.01 0.00 0.00 57.90 58.03 2d9x n TYR 26 Cb 0.57 -2.16 -0.08 0.00 -0.02 0.00 0.00 39.34 37.65 2d9x n TYR 26 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 176.86 176.35 2d9x s ARG 27 N -2.52 0.73 -0.25 -0.72 6.06 0.43 -4.77 118.95 117.90 2d9x s ARG 27 Ca 0.72 0.26 -0.25 0.00 -2.50 0.00 0.00 55.73 53.96 2d9x s ARG 27 Cb -0.45 0.34 -0.00 0.00 0.06 0.00 0.00 34.95 34.90 2d9x s ARG 27 CO 0.50 -0.17 0.86 0.12 -2.50 0.00 0.00 175.30 174.10 2d9x s PHE 28 N -0.67 3.29 -0.05 5.12 5.36 -1.12 0.02 117.98 129.93 2d9x s PHE 28 Ca -0.08 1.13 0.05 0.00 -0.96 0.00 0.00 56.93 57.07 2d9x s PHE 28 Cb -0.03 -3.13 -0.02 0.00 -0.34 0.00 0.00 43.02 39.50 2d9x s PHE 28 CO 0.04 -0.45 -0.18 -0.06 -1.46 0.00 0.00 175.22 173.11 2d9x s PHE 29 N 2.93 2.59 -0.27 10.12 0.40 0.34 -1.45 117.98 132.65 2d9x s PHE 29 Ca 0.36 -0.33 -0.01 0.00 -0.60 0.00 0.00 56.93 56.35 2d9x s PHE 29 Cb -0.15 -1.61 0.08 0.00 0.51 0.00 0.00 43.02 41.85 2d9x s PHE 29 CO 0.08 0.05 0.06 0.08 0.70 0.00 0.00 175.22 176.20 2d9x s VAL 30 N -0.54 0.88 0.36 -0.44 1.01 -1.04 -0.77 120.40 119.85 2d9x s VAL 30 Ca 0.07 -1.15 -0.27 0.00 0.00 0.00 0.00 61.98 60.63 2d9x s VAL 30 Cb -0.11 -1.52 -0.09 0.00 0.00 0.00 0.00 36.38 34.66 2d9x s VAL 30 CO 0.01 -0.47 1.17 -0.22 0.00 0.00 0.00 175.10 175.59 2d9x s LEU 31 N 1.65 4.33 -0.22 3.92 2.96 0.17 -3.67 118.68 127.81 2d9x s LEU 31 Ca 0.05 2.37 -0.04 0.00 -0.22 0.00 0.00 54.13 56.29 2d9x s LEU 31 Cb -0.17 -3.86 -0.01 0.00 0.50 0.00 0.00 46.19 42.65 2d9x s LEU 31 CO -0.18 -0.50 -0.05 0.20 -1.32 0.00 0.00 176.35 174.51 2d9x s ASN 32 N -0.98 4.27 -0.11 3.68 0.01 -1.11 -3.98 114.94 116.72 2d9x s ASN 32 Ca 0.52 -0.40 0.07 0.00 -0.71 0.00 0.00 52.86 52.34 2d9x s ASN 32 Cb -0.32 -1.73 -0.24 0.00 0.41 0.00 0.00 41.25 39.37 2d9x s ASN 32 CO 0.41 -0.02 0.39 -0.46 -1.51 0.00 0.00 177.10 175.92 2d9x n ASN 33 N 4.77 1.22 0.02 -1.22 6.94 -1.26 -1.12 115.26 124.61 2d9x n ASN 33 Ca -0.18 0.23 -0.08 0.00 -0.02 0.00 0.00 54.58 54.53 2d9x n ASN 33 Cb 0.51 -0.17 0.07 0.00 -2.36 0.00 0.00 39.78 37.83 2d9x n ASN 33 CO 0.00 0.00 0.00 -0.08 -1.03 0.00 0.00 177.26 176.15 2d9x h GLU 34 N 0.02 0.50 0.00 -3.83 4.57 -1.98 -3.37 114.58 110.50 2d9x h GLU 34 Ca -0.40 -0.31 -0.38 0.00 -1.18 0.00 0.00 59.36 57.09 2d9x h GLU 34 Cb 2.05 0.03 -0.06 0.00 -0.16 0.00 0.00 28.75 30.61 2d9x h GLU 34 CO 0.06 0.91 -2.26 0.00 -1.18 0.00 0.00 179.01 176.54 2d9x n ALA 35 N -2.51 1.43 -0.14 2.92 0.00 -1.26 -5.06 120.51 115.89 2d9x n ALA 35 Ca -0.03 -0.94 0.00 0.00 0.00 0.00 0.00 53.44 52.47 2d9x n ALA 35 Cb 0.59 0.18 0.00 0.00 0.00 0.00 0.00 19.45 20.22 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 1.50 1.15 3.13 0.00 0.00 -0.28 -4.99 105.19 105.70 2d9x n GLY 36 Ca -0.45 -0.04 -0.25 0.00 0.00 0.00 0.00 46.02 45.28 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 -0.05 1.94 -0.40 0.99 1.43 -1.23 -2.35 118.68 119.01 2d9x s LEU 37 Ca 0.00 -0.32 -0.17 0.00 -1.03 0.00 0.00 54.13 52.61 2d9x s LEU 37 Cb 0.00 -0.89 0.01 0.00 0.03 0.00 0.00 46.19 45.34 2d9x s LEU 37 CO 0.00 0.16 0.41 -0.22 0.23 0.00 0.00 176.35 176.93 2d9x s LEU 38 N -0.08 4.76 0.34 1.79 2.96 0.52 -2.76 118.68 126.21 2d9x s LEU 38 Ca -0.00 -0.56 0.08 0.00 -0.22 0.00 0.00 54.13 53.43 2d9x s LEU 38 Cb -0.10 -2.36 -0.04 0.00 0.50 0.00 0.00 46.19 44.19 2d9x s LEU 38 CO 0.01 -0.51 0.14 -1.61 -1.32 0.00 0.00 176.35 173.06 2d9x s GLU 39 N 2.08 2.36 -0.18 1.98 2.02 -1.24 -1.53 118.70 124.19 2d9x s GLU 39 Ca 0.12 -1.55 -0.13 0.00 0.02 0.00 0.00 54.97 53.43 2d9x s GLU 39 Cb -0.17 -2.17 0.06 0.00 0.10 0.00 0.00 34.13 31.95 2d9x s GLU 39 CO 0.13 0.12 0.46 1.52 0.02 0.00 0.00 175.26 177.50 2d9x s TYR 40 N -2.43 -0.61 0.06 1.61 1.13 -1.20 -2.49 117.35 113.43 2d9x s TYR 40 Ca 0.37 1.34 0.08 0.00 -1.41 0.00 0.00 57.07 57.46 2d9x s TYR 40 Cb -0.02 0.26 -0.03 0.00 -1.10 0.00 0.00 41.96 41.07 2d9x s TYR 40 CO 0.22 -0.32 -0.23 -0.06 -2.51 0.00 0.00 175.55 172.66 2d9x s PHE 41 N 0.96 2.00 0.33 -3.49 0.40 -0.53 -3.02 117.98 114.63 2d9x s PHE 41 Ca -0.06 -0.39 0.21 0.00 -0.60 0.00 0.00 56.93 56.09 2d9x s PHE 41 Cb -0.06 -1.17 1.15 0.00 0.51 0.00 0.00 43.02 43.45 2d9x s PHE 41 CO -0.08 0.15 1.28 0.28 0.70 0.00 0.00 175.22 177.55 2d9x n VAL 42 N 1.61 -0.28 -3.82 -0.44 0.31 -1.26 -2.79 118.33 111.65 2d9x n VAL 42 Ca -0.18 1.58 -0.06 0.00 -0.01 0.00 0.00 64.34 65.67 2d9x n VAL 42 Cb 0.53 -2.57 -0.01 0.00 -0.91 0.00 0.00 33.84 30.88 2d9x n VAL 42 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2d9x s ASN 43 N -4.49 -0.18 0.14 4.52 2.20 -1.26 -4.40 114.94 111.47 2d9x s ASN 43 Ca -0.07 -0.63 -0.17 0.00 -0.94 0.00 0.00 52.86 51.05 2d9x s ASN 43 Cb 0.27 0.66 -0.01 0.00 -2.00 0.00 0.00 41.25 40.16 2d9x s ASN 43 CO 0.65 -1.24 1.79 -0.08 -2.94 0.00 0.00 177.10 175.28 2d9x h GLU 44 N 2.00 0.46 -0.93 3.55 4.22 -1.93 -2.54 114.58 119.41 2d9x h GLU 44 Ca -0.23 -0.03 0.25 0.00 0.08 0.00 0.00 59.36 59.43 2d9x h GLU 44 Cb 1.24 -0.10 -0.13 0.00 0.50 0.00 0.00 28.75 30.26 2d9x h GLU 44 CO 0.27 0.32 0.42 1.96 -2.18 0.00 0.00 179.01 179.80 2d9x h GLN 45 N 0.46 0.35 -1.43 1.92 4.20 -1.97 0.22 115.11 118.87 2d9x h GLN 45 Ca 0.13 -0.02 -0.71 0.00 0.06 0.00 0.00 58.65 58.11 2d9x h GLN 45 Cb -0.04 -0.08 -0.28 0.00 0.30 0.00 0.00 27.48 27.39 2d9x h GLN 45 CO -0.03 0.23 0.94 0.45 -0.67 0.00 0.00 178.83 179.76 2d9x n SER 46 N -5.07 7.61 0.12 1.46 2.88 -0.96 -4.53 113.62 115.13 2d9x n SER 46 Ca 0.25 -3.79 -0.24 0.00 -1.33 0.00 0.00 58.87 53.76 2d9x n SER 46 Cb 0.74 -1.02 -0.16 0.00 -0.75 0.00 0.00 64.21 63.03 2d9x n SER 46 CO 0.00 0.00 0.00 0.08 -1.23 0.00 0.00 175.04 173.89 2d9x h ARG 47 N 2.41 0.49 -0.22 -1.46 0.11 -0.51 -3.35 114.38 111.85 2d9x h ARG 47 Ca 0.59 -0.84 -0.14 0.00 0.10 0.00 0.00 59.98 59.69 2d9x h ARG 47 Cb 0.49 0.31 0.00 0.00 1.11 0.00 0.00 29.97 31.88 2d9x h ARG 47 CO 1.51 1.40 -0.41 -0.97 0.10 0.00 0.00 179.97 181.60 2d9x h ASN 48 N 0.06 0.74 -2.33 0.08 -0.73 -1.80 -3.46 115.58 108.15 2d9x h ASN 48 Ca -0.26 -0.54 -0.50 0.00 1.87 0.00 0.00 56.30 56.88 2d9x h ASN 48 Cb 2.09 -0.21 0.23 0.00 0.27 0.00 0.00 38.32 40.70 2d9x h ASN 48 CO 0.24 1.14 -1.36 1.67 -0.37 0.00 0.00 177.43 178.76 2d9x n GLN 49 N -4.21 -0.74 -1.64 6.67 -0.06 -1.26 -4.74 117.38 111.40 2d9x n GLN 49 Ca -0.05 -0.20 -0.52 0.00 -2.00 0.00 0.00 57.00 54.23 2d9x n GLN 49 Cb 0.54 -1.52 -0.06 0.00 -4.06 0.00 0.00 30.24 25.15 2d9x n GLN 49 CO 0.00 0.00 0.00 1.17 -0.20 0.00 0.00 177.06 178.03 2d9x n LYS 50 N -0.52 1.43 -2.22 3.69 3.00 -1.26 -4.89 118.16 117.38 2d9x n LYS 50 Ca 0.01 0.52 -0.41 0.00 -0.00 0.00 0.00 58.31 58.43 2d9x n LYS 50 Cb 0.62 -2.21 -0.03 0.00 0.00 0.00 0.00 35.03 33.41 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 1.42 4.38 0.24 1.64 0.04 -1.26 -4.93 135.00 136.53 2d9x s PRO 51 Ca 0.87 2.04 -0.05 0.00 0.04 0.00 0.00 61.00 63.89 2d9x s PRO 51 Cb -0.90 -3.21 0.34 0.00 0.04 0.00 0.00 34.50 30.77 2d9x s PRO 51 CO 0.49 -0.28 1.83 0.00 0.04 0.00 0.00 177.00 179.08 2d9x h ARG 52 N 5.67 0.84 -2.33 4.56 2.47 -1.88 -3.45 114.38 120.27 2d9x h ARG 52 Ca -0.44 -0.05 -0.04 0.00 -1.26 0.00 0.00 59.98 58.19 2d9x h ARG 52 Cb 1.21 -0.19 -0.17 0.00 -1.65 0.00 0.00 29.97 29.18 2d9x h ARG 52 CO 0.79 0.56 0.21 0.20 0.56 0.00 0.00 179.97 182.29 2d9x s GLY 53 N -3.19 -0.58 0.04 0.04 0.00 -1.26 -5.07 107.32 97.30 2d9x s GLY 53 Ca -0.13 1.06 0.03 0.00 0.00 0.00 0.00 44.72 45.68 2d9x s GLY 53 CO 0.78 0.68 -0.09 -0.51 0.00 0.00 0.00 173.10 173.97 2d9x s THR 54 N -2.08 0.62 -0.00 0.90 -4.23 -1.26 -3.26 115.64 106.33 2d9x s THR 54 Ca -0.06 -1.01 0.02 0.00 -1.18 0.00 0.00 61.69 59.45 2d9x s THR 54 Cb -0.00 -0.65 -0.00 0.00 1.34 0.00 0.00 72.50 73.18 2d9x s THR 54 CO 0.02 -0.29 -0.05 -0.22 -0.54 0.00 0.00 174.62 173.53 2d9x s LEU 55 N -1.42 2.02 -0.16 4.79 2.96 -0.58 -4.95 118.68 121.33 2d9x s LEU 55 Ca -0.07 -0.11 -0.24 0.00 -0.22 0.00 0.00 54.13 53.49 2d9x s LEU 55 Cb -0.09 -0.27 -0.02 0.00 0.50 0.00 0.00 46.19 46.32 2d9x s LEU 55 CO 0.01 0.06 0.78 -1.10 -1.32 0.00 0.00 176.35 174.78 2d9x s GLN 56 N -0.16 4.29 -0.02 1.98 -0.21 -1.26 -0.35 119.66 123.93 2d9x s GLN 56 Ca 0.02 0.93 0.03 0.00 0.02 0.00 0.00 55.36 56.36 2d9x s GLN 56 Cb -0.02 -3.56 -0.25 0.00 1.00 0.00 0.00 33.01 30.17 2d9x s GLN 56 CO -0.00 -0.27 0.77 -0.07 -2.12 0.00 0.00 175.29 173.59 2d9x h LEU 57 N 8.15 0.22 -8.12 2.90 3.38 -1.83 -3.43 115.31 116.58 2d9x h LEU 57 Ca -0.31 -0.36 -0.33 0.00 0.09 0.00 0.00 57.88 56.97 2d9x h LEU 57 Cb 1.14 -0.07 -0.08 0.00 0.09 0.00 0.00 40.66 41.74 2d9x h LEU 57 CO 0.82 1.31 1.54 0.00 0.09 0.00 0.00 178.44 182.20 2d9x n ALA 58 N -2.64 0.75 0.00 1.53 0.00 -1.26 0.16 120.51 119.05 2d9x n ALA 58 Ca -0.17 -0.82 0.00 0.00 0.00 0.00 0.00 53.44 52.45 2d9x n ALA 58 Cb 1.04 -2.62 0.00 0.00 0.00 0.00 0.00 19.45 17.87 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 6.03 1.53 4.01 0.00 0.00 -1.19 -4.79 105.19 110.78 2d9x n GLY 59 Ca 0.61 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.43 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 -2.00 4.26 -0.02 4.61 0.00 0.42 -2.63 121.76 126.40 2d9x s ALA 60 Ca 0.00 -1.75 0.01 0.00 0.00 0.00 0.00 51.96 50.22 2d9x s ALA 60 Cb 0.00 -1.76 0.01 0.00 0.00 0.00 0.00 23.12 21.37 2d9x s ALA 60 CO 0.00 -0.82 -0.02 0.08 0.00 0.00 0.00 175.76 175.00 2d9x s VAL 61 N -2.71 0.27 -0.38 0.00 1.01 -1.22 -4.86 120.40 112.51 2d9x s VAL 61 Ca 0.60 -0.05 -0.11 0.00 0.00 0.00 0.00 61.98 62.41 2d9x s VAL 61 Cb -0.08 -0.29 0.03 0.00 0.00 0.00 0.00 36.38 36.04 2d9x s VAL 61 CO 0.39 0.12 0.22 -0.63 0.00 0.00 0.00 175.10 175.20 2d9x s ILE 62 N 0.47 4.61 -0.50 2.22 1.09 -1.26 -0.83 121.20 127.01 2d9x s ILE 62 Ca -0.05 -0.89 -0.01 0.00 -1.10 0.00 0.00 60.65 58.60 2d9x s ILE 62 Cb -0.08 -3.60 0.13 0.00 -1.06 0.00 0.00 42.46 37.85 2d9x s ILE 62 CO -0.01 -0.27 0.28 -0.44 -0.10 0.00 0.00 174.94 174.41 2d9x s SER 63 N 1.60 5.06 -0.01 3.58 0.01 -1.12 -4.99 113.70 117.84 2d9x s SER 63 Ca 0.02 -2.48 -0.30 0.00 1.31 0.00 0.00 55.95 54.50 2d9x s SER 63 Cb -0.19 -1.79 -0.06 0.00 0.21 0.00 0.00 66.02 64.19 2d9x s SER 63 CO 0.07 -0.42 1.45 -2.16 0.41 0.00 0.00 173.24 172.59 2d9x s PRO 64 N 0.48 4.26 1.21 12.44 0.04 -1.26 -3.37 135.00 148.80 2d9x s PRO 64 Ca 0.13 2.02 -0.20 0.00 0.04 0.00 0.00 61.00 62.99 2d9x s PRO 64 Cb -0.22 -3.63 0.30 0.00 0.04 0.00 0.00 34.50 30.99 2d9x s PRO 64 CO -0.04 -0.63 1.10 0.43 0.04 0.00 0.00 177.00 177.90 2d9x n SER 65 N 5.65 -2.00 0.00 6.66 7.64 -1.25 -4.97 113.62 125.37 2d9x n SER 65 Ca 0.14 -1.18 0.00 0.00 1.01 0.00 0.00 58.87 58.84 2d9x n SER 65 Cb 0.43 -1.00 0.00 0.00 -1.01 0.00 0.00 64.21 62.63 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 -4.82 4.05 0.00 6.43 9.92 -1.26 -4.83 116.55 126.05 2d9x n ASP 66 Ca 0.15 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.41 2d9x n ASP 66 Cb 0.59 0.51 0.00 0.00 -0.64 0.00 0.00 41.12 41.58 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 -1.58 0.00 -3.83 -1.24 -0.58 -1.26 -4.35 120.64 107.80 2d9x n GLU 67 Ca 0.00 0.55 -0.37 0.00 -0.42 0.00 0.00 57.16 56.93 2d9x n GLU 67 Cb 0.30 -0.92 -0.06 0.00 -0.57 0.00 0.00 31.44 30.19 2d9x n GLU 67 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2d9x s ASP 68 N -2.61 6.45 0.39 1.62 1.01 -1.26 -4.98 116.67 117.29 2d9x s ASP 68 Ca 0.00 0.53 0.21 0.00 0.71 0.00 0.00 52.55 54.00 2d9x s ASP 68 Cb 0.00 -2.09 1.22 0.00 1.01 0.00 0.00 42.92 43.06 2d9x s ASP 68 CO 0.00 0.38 1.67 0.28 0.21 0.00 0.00 175.17 177.71 2d9x h SER 69 N 4.81 0.40 -3.56 0.27 0.02 -1.95 -3.28 113.55 110.26 2d9x h SER 69 Ca -0.54 0.15 -0.70 0.00 -0.84 0.00 0.00 61.79 59.86 2d9x h SER 69 Cb 1.22 0.11 -0.31 0.00 0.14 0.00 0.00 62.40 63.57 2d9x h SER 69 CO 0.60 -0.11 -0.56 -1.00 -1.14 0.00 0.00 176.83 174.62 2d9x s HIS 70 N -5.49 3.37 -0.16 3.45 3.76 -1.26 -4.63 115.29 114.32 2d9x s HIS 70 Ca -0.09 -1.78 -0.30 0.00 -0.15 0.00 0.00 55.06 52.74 2d9x s HIS 70 Cb 0.29 -2.74 0.13 0.00 1.11 0.00 0.00 32.58 31.37 2d9x s HIS 70 CO 0.80 -0.85 1.01 0.99 -0.85 0.00 0.00 174.74 175.84 2d9x s THR 71 N 1.32 0.00 -0.25 1.30 2.01 -1.24 -4.33 115.64 114.46 2d9x s THR 71 Ca 0.02 0.00 -0.29 0.00 0.31 0.00 0.00 61.69 61.73 2d9x s THR 71 Cb -0.22 -1.00 0.17 0.00 0.01 0.00 0.00 72.50 71.46 2d9x s THR 71 CO 0.00 0.00 1.24 0.72 -0.69 0.00 0.00 174.62 175.89 2d9x s PHE 72 N -1.15 -0.16 0.05 4.92 -0.71 -1.12 -3.74 117.98 116.07 2d9x s PHE 72 Ca -0.01 0.29 0.06 0.00 -1.04 0.00 0.00 56.93 56.23 2d9x s PHE 72 Cb -0.00 0.47 -0.03 0.00 -1.21 0.00 0.00 43.02 42.25 2d9x s PHE 72 CO 0.01 -0.14 -0.18 0.95 -1.34 0.00 0.00 175.22 174.52 2d9x s THR 73 N -0.92 1.46 -0.57 -4.49 -4.23 -1.22 -2.89 115.64 102.78 2d9x s THR 73 Ca 0.05 -1.17 -0.03 0.00 -1.18 0.00 0.00 61.69 59.36 2d9x s THR 73 Cb -0.01 -1.29 0.15 0.00 1.34 0.00 0.00 72.50 72.68 2d9x s THR 73 CO -0.05 0.09 0.38 -0.69 -0.54 0.00 0.00 174.62 173.80 2d9x s VAL 74 N -0.88 3.59 1.07 2.29 1.01 -1.05 -2.79 120.40 123.64 2d9x s VAL 74 Ca 0.05 -2.74 -0.14 0.00 0.00 0.00 0.00 61.98 59.15 2d9x s VAL 74 Cb -0.09 -3.37 0.22 0.00 0.00 0.00 0.00 36.38 33.14 2d9x s VAL 74 CO 0.02 -0.83 1.09 0.20 0.00 0.00 0.00 175.10 175.58 2d9x s ASN 75 N 0.97 2.03 -0.11 3.32 0.01 -0.01 -2.49 114.94 118.66 2d9x s ASN 75 Ca 0.15 1.03 -0.05 0.00 -0.71 0.00 0.00 52.86 53.27 2d9x s ASN 75 Cb -0.21 -1.59 0.05 0.00 0.41 0.00 0.00 41.25 39.91 2d9x s ASN 75 CO -0.03 -3.48 0.24 0.00 -1.51 0.00 0.00 177.10 172.32 2d9x s ALA 76 N -2.96 -0.55 0.15 0.60 0.00 0.59 -3.38 121.76 116.22 2d9x s ALA 76 Ca 0.67 0.98 -0.30 0.00 0.00 0.00 0.00 51.96 53.31 2d9x s ALA 76 Cb -0.17 -0.68 -0.07 0.00 0.00 0.00 0.00 23.12 22.20 2d9x s ALA 76 CO 0.57 -0.26 1.52 0.00 0.00 0.00 0.00 175.76 177.59 2d9x h ALA 77 N 7.36 -0.54 -1.00 0.00 0.00 -1.79 0.25 119.26 123.54 2d9x h ALA 77 Ca -0.37 0.11 0.23 0.00 0.00 0.00 0.00 54.91 54.88 2d9x h ALA 77 Cb 1.15 1.35 -0.19 0.00 0.00 0.00 0.00 17.79 20.10 2d9x h ALA 77 CO 0.34 -0.94 -0.13 1.03 0.00 0.00 0.00 179.25 179.55 2d9x h SER 78 N -0.02 -0.75 0.00 0.00 0.87 -1.93 -3.44 113.55 108.28 2d9x h SER 78 Ca 0.15 0.29 0.00 0.00 -1.23 0.00 0.00 61.79 61.00 2d9x h SER 78 Cb 0.40 0.57 0.00 0.00 -0.44 0.00 0.00 62.40 62.93 2d9x h SER 78 CO -0.89 -0.35 0.00 0.61 -0.53 0.00 0.00 176.83 175.68 2d9x n GLY 79 N -1.58 0.16 3.59 5.77 0.00 0.88 -5.19 105.19 108.82 2d9x n GLY 79 Ca 0.19 -0.18 -0.09 0.00 0.00 0.00 0.00 46.02 45.94 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 1.26 0.01 1.61 2.12 -1.16 -4.97 118.70 117.57 2d9x s GLU 80 Ca 0.00 -0.57 -0.11 0.00 0.36 0.00 0.00 54.97 54.66 2d9x s GLU 80 Cb 0.00 0.51 0.01 0.00 0.26 0.00 0.00 34.13 34.91 2d9x s GLU 80 CO 0.00 -0.56 0.22 -1.14 -0.54 0.00 0.00 175.26 173.24 2d9x s GLN 81 N -3.55 0.64 -0.12 4.30 0.74 -1.26 -0.30 119.66 120.11 2d9x s GLN 81 Ca 0.06 -0.43 0.03 0.00 0.05 0.00 0.00 55.36 55.07 2d9x s GLN 81 Cb -0.02 0.27 0.01 0.00 1.10 0.00 0.00 33.01 34.37 2d9x s GLN 81 CO -0.05 -0.18 -0.20 0.71 -0.55 0.00 0.00 175.29 175.02 2d9x s TYR 82 N -1.88 2.43 -0.61 1.67 1.51 -1.04 -4.92 117.35 114.51 2d9x s TYR 82 Ca -0.10 -1.16 -0.20 0.00 -1.01 0.00 0.00 57.07 54.60 2d9x s TYR 82 Cb -0.04 -1.67 0.09 0.00 -0.11 0.00 0.00 41.96 40.23 2d9x s TYR 82 CO 0.00 -0.53 0.78 0.21 -1.11 0.00 0.00 175.55 174.90 2d9x s LYS 83 N 0.77 3.07 0.08 -0.62 2.20 -1.26 -2.51 119.74 121.46 2d9x s LYS 83 Ca -0.09 -1.13 0.09 0.00 -0.36 0.00 0.00 55.97 54.47 2d9x s LYS 83 Cb -0.16 -4.24 -0.03 0.00 -1.51 0.00 0.00 37.83 31.89 2d9x s LYS 83 CO 0.00 -1.61 -0.23 -0.51 -0.36 0.00 0.00 175.35 172.64 2d9x s LEU 84 N 3.13 2.23 -0.16 5.43 1.43 -1.14 -3.48 118.68 126.11 2d9x s LEU 84 Ca 0.15 -0.62 0.00 0.00 -1.03 0.00 0.00 54.13 52.63 2d9x s LEU 84 Cb -0.21 -1.07 0.03 0.00 0.03 0.00 0.00 46.19 44.96 2d9x s LEU 84 CO 0.08 0.16 -0.11 -0.60 0.23 0.00 0.00 176.35 176.11 2d9x s ARG 85 N -1.55 2.02 0.91 1.70 3.52 0.37 -2.79 118.95 123.14 2d9x s ARG 85 Ca 0.09 -0.62 -0.11 0.00 -0.13 0.00 0.00 55.73 54.97 2d9x s ARG 85 Cb -0.10 -2.15 0.14 0.00 -1.56 0.00 0.00 34.95 31.28 2d9x s ARG 85 CO 0.03 -0.33 1.10 0.00 -0.81 0.00 0.00 175.30 175.29 2d9x s ALA 86 N 1.50 1.43 0.11 6.12 0.00 -1.26 -2.46 121.76 127.20 2d9x s ALA 86 Ca 0.02 0.17 -0.02 0.00 0.00 0.00 0.00 51.96 52.13 2d9x s ALA 86 Cb -0.14 -3.28 -0.19 0.00 0.00 0.00 0.00 23.12 19.51 2d9x s ALA 86 CO -0.09 -2.51 1.23 0.00 0.00 0.00 0.00 175.76 174.38 2d9x h THR 87 N -1.67 1.49 -2.82 0.00 1.03 -1.92 -3.45 112.91 105.57 2d9x h THR 87 Ca -0.48 -2.87 -0.08 0.00 -0.01 0.00 0.00 66.41 62.97 2d9x h THR 87 Cb 1.27 2.74 -0.18 0.00 -1.07 0.00 0.00 68.15 70.92 2d9x h THR 87 CO 0.50 0.84 -0.07 -1.81 -0.01 0.00 0.00 175.52 174.97 2d9x s ASP 88 N -7.07 -0.35 0.59 0.00 1.01 -1.26 -5.01 116.67 104.59 2d9x s ASP 88 Ca -0.04 0.16 0.17 0.00 0.71 0.00 0.00 52.55 53.56 2d9x s ASP 88 Cb 0.08 0.43 0.95 0.00 1.01 0.00 0.00 42.92 45.39 2d9x s ASP 88 CO 0.87 -0.62 1.50 0.00 0.21 0.00 0.00 175.17 177.13 2d9x h ALA 89 N 3.15 1.50 0.24 5.23 0.00 -1.91 0.62 119.26 128.09 2d9x h ALA 89 Ca -0.30 0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.28 2d9x h ALA 89 Cb 1.19 0.00 0.03 0.00 0.00 0.00 0.00 17.79 19.02 2d9x h ALA 89 CO 0.42 -0.50 -1.47 0.87 0.00 0.00 0.00 179.25 178.56 2d9x h LYS 90 N 0.00 0.51 0.00 0.00 1.79 -1.95 -3.24 116.57 113.68 2d9x h LYS 90 Ca 0.00 -0.88 -0.14 0.00 -2.18 0.00 0.00 60.65 57.45 2d9x h LYS 90 Cb 1.07 0.33 -0.02 0.00 -1.58 0.00 0.00 32.23 32.03 2d9x h LYS 90 CO 0.00 1.42 -0.67 1.49 -1.08 0.00 0.00 179.45 180.61 2d9x h GLU 91 N 0.14 0.00 0.46 3.15 4.81 -0.21 -3.24 114.58 119.69 2d9x h GLU 91 Ca -0.25 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 58.96 2d9x h GLU 91 Cb 2.15 0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.54 2d9x h GLU 91 CO 0.27 0.67 -0.22 -0.09 -0.73 0.00 0.00 179.01 178.91 2d9x h ARG 92 N 0.00 -0.60 -0.97 1.92 2.43 -1.30 -2.00 114.38 113.86 2d9x h ARG 92 Ca -0.01 0.04 0.11 0.00 -0.81 0.00 0.00 59.98 59.32 2d9x h ARG 92 Cb 1.36 0.14 -0.08 0.00 -0.42 0.00 0.00 29.97 30.97 2d9x h ARG 92 CO 0.09 -0.37 0.62 -0.56 -1.51 0.00 0.00 179.97 178.24 2d9x h GLN 93 N -0.68 0.92 0.48 0.20 3.07 -1.65 0.10 115.11 117.57 2d9x h GLN 93 Ca -0.06 -0.06 -0.02 0.00 0.09 0.00 0.00 58.65 58.60 2d9x h GLN 93 Cb 0.51 -0.21 0.00 0.00 0.08 0.00 0.00 27.48 27.86 2d9x h GLN 93 CO 0.10 0.61 -0.25 1.25 0.09 0.00 0.00 178.83 180.64 2d9x h HIS 94 N 0.95 -0.65 0.63 0.06 2.76 -1.52 -0.56 115.15 116.82 2d9x h HIS 94 Ca 0.47 -0.01 -0.03 0.00 -2.20 0.00 0.00 60.37 58.60 2d9x h HIS 94 Cb 0.48 0.22 0.01 0.00 1.55 0.00 0.00 27.41 29.66 2d9x h HIS 94 CO -0.00 -0.40 -0.30 -1.49 -1.30 0.00 0.00 177.93 174.44 2d9x h TRP 95 N -0.67 -0.78 -0.76 5.26 4.06 -0.86 0.07 115.95 122.27 2d9x h TRP 95 Ca -0.06 -0.02 0.17 0.00 2.06 0.00 0.00 58.89 61.04 2d9x h TRP 95 Cb 0.53 0.26 -0.13 0.00 -1.00 0.00 0.00 29.16 28.81 2d9x h TRP 95 CO -0.06 -0.45 -0.03 0.28 -3.56 0.00 0.00 178.44 174.62 2d9x h VAL 96 N -0.97 0.31 0.73 1.49 2.07 -0.84 0.18 116.25 119.22 2d9x h VAL 96 Ca -0.09 -0.03 -0.04 0.00 0.82 0.00 0.00 66.70 67.37 2d9x h VAL 96 Cb 0.68 0.23 0.01 0.00 -1.52 0.00 0.00 31.29 30.69 2d9x h VAL 96 CO 0.14 0.01 -0.35 0.28 0.02 0.00 0.00 177.57 177.68 2d9x h SER 97 N 0.08 -0.83 -0.82 0.57 0.02 -1.01 -0.34 113.55 111.22 2d9x h SER 97 Ca 0.41 0.02 0.20 0.00 -0.84 0.00 0.00 61.79 61.58 2d9x h SER 97 Cb 0.71 0.21 -0.14 0.00 0.14 0.00 0.00 62.40 63.32 2d9x h SER 97 CO -0.69 -0.45 0.06 0.03 -1.14 0.00 0.00 176.83 174.64 2d9x h ARG 98 N -1.25 0.11 -0.06 3.45 2.47 -0.36 0.57 114.38 119.31 2d9x h ARG 98 Ca -0.10 -0.01 -0.01 0.00 -1.26 0.00 0.00 59.98 58.61 2d9x h ARG 98 Cb 0.75 -0.03 -0.00 0.00 -1.65 0.00 0.00 29.97 29.05 2d9x h ARG 98 CO 0.16 0.07 0.01 -0.07 0.56 0.00 0.00 179.97 180.71 2d9x h LEU 99 N 0.12 0.09 -2.47 3.04 3.38 -0.65 -0.17 115.31 118.64 2d9x h LEU 99 Ca 0.48 -0.27 0.01 0.00 0.09 0.00 0.00 57.88 58.18 2d9x h LEU 99 Cb 0.89 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.62 2d9x h LEU 99 CO -0.71 0.34 0.17 1.56 0.09 0.00 0.00 178.44 179.89 2d9x h GLN 100 N -0.15 0.00 0.00 1.13 4.20 0.84 0.27 115.11 121.40 2d9x h GLN 100 Ca 0.02 0.00 -0.21 0.00 0.06 0.00 0.00 58.65 58.52 2d9x h GLN 100 Cb 0.29 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.04 2d9x h GLN 100 CO 0.00 0.00 -1.17 0.82 -0.67 0.00 0.00 178.83 177.81 2d9x h ILE 101 N 0.00 0.85 -0.01 2.54 2.04 -0.54 -3.24 117.51 119.15 2d9x h ILE 101 Ca 0.01 -2.08 -0.04 0.00 1.00 0.00 0.00 64.86 63.75 2d9x h ILE 101 Cb 0.34 2.05 -0.01 0.00 -0.74 0.00 0.00 36.82 38.47 2d9x h ILE 101 CO -0.00 0.29 -0.19 0.00 0.00 0.00 0.00 178.15 178.25 2d9x h THR 103 N 0.02 1.28 0.00 0.00 1.03 -0.65 -3.12 112.91 111.47 2d9x h THR 103 Ca 0.00 -1.67 -0.02 0.00 -0.01 0.00 0.00 66.41 64.71 2d9x h THR 103 Cb 0.34 1.64 -0.00 0.00 -1.07 0.00 0.00 68.15 69.05 2d9x h THR 103 CO 0.02 0.54 -0.17 -0.61 -0.01 0.00 0.00 175.52 175.30 2d9x h GLN 104 N 0.61 0.00 -0.69 0.00 4.15 -1.49 -2.38 115.11 115.30 2d9x h GLN 104 Ca 0.02 0.00 0.20 0.00 0.77 0.00 0.00 58.65 59.64 2d9x h GLN 104 Cb 1.09 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.75 2d9x h GLN 104 CO 0.11 0.29 1.05 1.25 -1.93 0.00 0.00 178.83 179.60 2d9x h HIS 105 N -1.00 0.00 0.00 3.99 2.76 -0.32 0.86 115.15 121.44 2d9x h HIS 105 Ca -0.02 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.15 2d9x h HIS 105 Cb 0.39 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.35 2d9x h HIS 105 CO 0.03 0.00 -0.37 0.72 -1.30 0.00 0.00 177.93 177.01 2d9x n HIS 106 N -3.12 0.28 -0.41 5.26 8.25 -1.18 -4.15 115.22 120.15 2d9x n HIS 106 Ca 0.15 0.12 0.34 0.00 -0.26 0.00 0.00 57.72 58.08 2d9x n HIS 106 Cb 1.27 -0.41 0.62 0.00 1.12 0.00 0.00 29.99 32.58 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 -0.52 0.15 -0.01 1.59 1.03 -0.76 0.37 112.91 114.77 2d9x h THR 107 Ca 0.00 -0.04 0.02 0.00 -0.01 0.00 0.00 66.41 66.37 2d9x h THR 107 Cb 0.37 0.02 -0.02 0.00 -1.07 0.00 0.00 68.15 67.45 2d9x h THR 107 CO 0.00 0.02 -0.08 -0.08 -0.01 0.00 0.00 175.52 175.37 2d9x h GLU 108 N 0.12 -0.13 -1.02 0.00 4.81 -1.08 -2.19 114.58 115.09 2d9x h GLU 108 Ca 0.80 0.01 0.25 0.00 -0.13 0.00 0.00 59.36 60.29 2d9x h GLU 108 Cb 2.38 0.03 -0.12 0.00 0.63 0.00 0.00 28.75 31.67 2d9x h GLU 108 CO -0.47 -0.09 0.61 0.00 -0.73 0.00 0.00 179.01 178.34 2d9x h ALA 109 N 0.86 1.90 -2.62 2.92 0.00 -0.41 -3.41 119.26 118.51 2d9x h ALA 109 Ca 0.03 0.11 -0.53 0.00 0.00 0.00 0.00 54.91 54.53 2d9x h ALA 109 Cb 0.18 0.02 0.06 0.00 0.00 0.00 0.00 17.79 18.05 2d9x h ALA 109 CO -0.09 -0.37 0.97 -0.89 0.00 0.00 0.00 179.25 178.87 2d9x n ILE 110 N -4.83 0.13 -0.31 0.00 5.41 -0.83 -4.88 119.36 114.05 2d9x n ILE 110 Ca 0.27 -0.03 0.06 0.00 1.00 0.00 0.00 62.75 64.04 2d9x n ILE 110 Cb 0.79 -1.93 0.26 0.00 -0.71 0.00 0.00 39.64 38.05 2d9x n ILE 110 CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 2d9x h GLY 111 N 6.42 1.37 -7.58 7.39 0.00 -1.85 -3.37 103.07 105.45 2d9x h GLY 111 Ca -0.44 -0.40 -0.69 0.00 0.00 0.00 0.00 47.33 45.80 2d9x h GLY 111 CO 0.93 0.25 -0.52 -1.59 0.00 0.00 0.00 176.54 175.61 2d9x s LYS 112 N -5.89 3.19 -0.19 4.80 0.00 -1.26 -5.04 119.74 115.35 2d9x s LYS 112 Ca -0.11 -0.84 -0.30 0.00 0.00 0.00 0.00 55.97 54.72 2d9x s LYS 112 Cb 0.21 -3.71 0.14 0.00 0.00 0.00 0.00 37.83 34.47 2d9x s LYS 112 CO 0.80 -0.54 1.09 0.54 0.00 0.00 0.00 175.35 177.25 2d9x s ASN 113 N 1.63 -0.27 -0.79 0.03 4.22 -1.26 -5.04 114.94 113.45 2d9x s ASN 113 Ca 0.04 0.28 -0.17 0.00 -2.14 0.00 0.00 52.86 50.87 2d9x s ASN 113 Cb -0.18 0.23 0.16 0.00 1.28 0.00 0.00 41.25 42.74 2d9x s ASN 113 CO 0.08 -0.27 0.85 0.21 -2.04 0.00 0.00 177.10 175.93 2d9x s ASN 114 N -1.18 6.56 -0.30 3.54 3.84 -1.26 -4.94 114.94 121.20 2d9x s ASN 114 Ca 0.02 -2.16 -0.17 0.00 0.21 0.00 0.00 52.86 50.76 2d9x s ASN 114 Cb -0.01 -2.29 0.18 0.00 -0.55 0.00 0.00 41.25 38.58 2d9x s ASN 114 CO -0.01 -0.86 1.12 -0.55 -2.79 0.00 0.00 177.10 174.00 2d9x s SER 115 N 3.02 -0.31 0.42 -4.21 0.15 -1.26 -5.13 113.70 106.39 2d9x s SER 115 Ca 0.20 0.46 -0.25 0.00 0.70 0.00 0.00 55.95 57.06 2d9x s SER 115 Cb -0.13 1.25 -0.08 0.00 -1.71 0.00 0.00 66.02 65.35 2d9x s SER 115 CO -0.05 -0.07 1.31 -0.83 1.20 0.00 0.00 173.24 174.80 2d9x s GLY 116 N 1.72 2.91 0.74 9.45 0.00 -1.26 -5.02 107.32 115.86 2d9x s GLY 116 Ca -0.05 1.24 -0.12 0.00 0.00 0.00 0.00 44.72 45.79 2d9x s GLY 116 CO -0.15 1.82 0.66 -1.55 0.00 0.00 0.00 173.10 173.88 2d9x n PRO 117 N -0.04 -2.31 -3.24 2.90 -0.04 -1.26 -5.10 135.00 125.91 2d9x n PRO 117 Ca 0.05 -1.05 0.04 0.00 -0.04 0.00 0.00 63.50 62.49 2d9x n PRO 117 Cb 0.44 -0.99 -0.03 0.00 -0.04 0.00 0.00 33.50 32.88 2d9x n PRO 117 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2d9x s SER 118 N -3.27 -0.34 0.05 3.54 0.15 -1.26 -5.15 113.70 107.41 2d9x s SER 118 Ca 0.43 0.37 -0.30 0.00 0.70 0.00 0.00 55.95 57.15 2d9x s SER 118 Cb -0.04 1.35 -0.04 0.00 -1.71 0.00 0.00 66.02 65.57 2d9x s SER 118 CO 0.33 -0.06 0.96 -0.94 1.20 0.00 0.00 173.24 174.72 2d9x s SER 119 N 2.50 7.41 0.00 5.45 1.04 -1.26 -5.24 113.70 123.61 2d9x s SER 119 Ca -0.02 1.70 0.00 0.00 0.48 0.00 0.00 55.95 58.11 2d9x s SER 119 Cb -0.06 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.49 2d9x s SER 119 CO -0.14 -0.16 0.00 0.61 0.98 0.00 0.00 173.24 174.52