#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d9x s SER 2 N 0.00 5.97 -0.35 1.61 0.01 -1.26 -4.96 113.70 114.73 2d9x s SER 2 Ca 0.00 -0.77 -0.29 0.00 1.31 0.00 0.00 55.95 56.20 2d9x s SER 2 Cb 0.00 -2.56 0.01 0.00 0.21 0.00 0.00 66.02 63.68 2d9x s SER 2 CO 0.00 -1.96 1.32 -0.44 0.41 0.00 0.00 173.24 172.57 2d9x s SER 3 N 5.65 6.57 0.00 2.44 0.01 -1.26 -4.80 113.70 122.30 2d9x s SER 3 Ca 0.50 1.01 0.00 0.00 1.31 0.00 0.00 55.95 58.78 2d9x s SER 3 Cb -0.05 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.64 2d9x s SER 3 CO 0.03 -1.20 0.00 0.61 0.41 0.00 0.00 173.24 173.09 2d9x n GLY 4 N 4.60 -0.01 3.18 3.44 0.00 -1.26 -5.06 105.19 110.08 2d9x n GLY 4 Ca 0.15 -1.74 -0.15 0.00 0.00 0.00 0.00 46.02 44.28 2d9x n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2d9x s SER 5 N -1.99 1.51 -0.61 1.61 0.01 -1.26 -5.11 113.70 107.86 2d9x s SER 5 Ca 0.00 -0.80 -0.03 0.00 1.31 0.00 0.00 55.95 56.42 2d9x s SER 5 Cb 0.00 -0.00 0.16 0.00 0.21 0.00 0.00 66.02 66.38 2d9x s SER 5 CO 0.00 -0.24 0.43 -0.44 0.41 0.00 0.00 173.24 173.39 2d9x s SER 6 N -2.42 5.31 -0.46 2.44 0.01 -1.26 -4.87 113.70 112.46 2d9x s SER 6 Ca 0.05 -2.74 -0.28 0.00 1.31 0.00 0.00 55.95 54.30 2d9x s SER 6 Cb -0.03 -1.87 0.04 0.00 0.21 0.00 0.00 66.02 64.37 2d9x s SER 6 CO 0.00 -0.40 0.57 0.61 0.41 0.00 0.00 173.24 174.44 2d9x n GLY 7 N 3.66 -0.08 2.93 3.44 0.00 -1.26 -4.95 105.19 108.92 2d9x n GLY 7 Ca 0.07 0.93 -0.30 0.00 0.00 0.00 0.00 46.02 46.72 2d9x n GLY 7 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2d9x s GLU 8 N -2.62 1.59 -0.29 1.61 2.12 -1.26 -5.09 118.70 114.76 2d9x s GLU 8 Ca 0.28 -0.82 -0.16 0.00 0.36 0.00 0.00 54.97 54.62 2d9x s GLU 8 Cb -0.03 -2.40 0.12 0.00 0.26 0.00 0.00 34.13 32.08 2d9x s GLU 8 CO 0.77 -0.53 0.86 0.54 -0.54 0.00 0.00 175.26 176.36 2d9x s ASN 9 N 1.48 -0.69 -0.12 -1.70 2.20 -1.26 -4.56 114.94 110.29 2d9x s ASN 9 Ca -0.03 1.10 0.02 0.00 -0.94 0.00 0.00 52.86 53.01 2d9x s ASN 9 Cb -0.17 1.29 -0.00 0.00 -2.00 0.00 0.00 41.25 40.36 2d9x s ASN 9 CO -0.07 -0.17 -0.20 -0.69 -2.94 0.00 0.00 177.10 173.03 2d9x s VAL 10 N 1.47 2.39 0.04 3.54 1.01 -1.26 -5.02 120.40 122.57 2d9x s VAL 10 Ca -0.09 -0.89 -0.10 0.00 0.00 0.00 0.00 61.98 60.89 2d9x s VAL 10 Cb -0.04 -1.95 0.01 0.00 0.00 0.00 0.00 36.38 34.39 2d9x s VAL 10 CO -0.17 0.54 0.21 -0.72 0.00 0.00 0.00 175.10 174.97 2d9x s TYR 11 N 0.44 0.03 0.00 5.22 -0.85 -1.26 -0.04 117.35 120.89 2d9x s TYR 11 Ca -0.14 -0.24 0.00 0.00 -0.52 0.00 0.00 57.07 56.16 2d9x s TYR 11 Cb -0.17 -0.01 0.00 0.00 0.38 0.00 0.00 41.96 42.16 2d9x s TYR 11 CO 0.06 -0.45 0.00 0.41 -1.52 0.00 0.00 175.55 174.06 2d9x n GLY 12 N 0.65 1.23 3.58 5.49 0.00 -0.78 -5.01 105.19 110.34 2d9x n GLY 12 Ca -0.19 -0.28 -0.41 0.00 0.00 0.00 0.00 46.02 45.14 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 -1.93 1.83 0.23 1.61 1.51 -1.26 -2.49 117.35 116.85 2d9x s TYR 13 Ca 0.00 0.70 0.08 0.00 -1.01 0.00 0.00 57.07 56.84 2d9x s TYR 13 Cb 0.00 -4.14 -0.04 0.00 -0.11 0.00 0.00 41.96 37.67 2d9x s TYR 13 CO 0.00 -2.51 0.07 -0.51 -1.11 0.00 0.00 175.55 171.49 2d9x s LEU 14 N 7.66 3.45 -0.38 -1.29 1.43 0.18 -4.62 118.68 125.11 2d9x s LEU 14 Ca 0.71 -0.43 -0.14 0.00 -1.03 0.00 0.00 54.13 53.24 2d9x s LEU 14 Cb -0.16 -2.01 0.00 0.00 0.03 0.00 0.00 46.19 44.05 2d9x s LEU 14 CO 0.27 0.02 0.28 -0.04 0.23 0.00 0.00 176.35 177.11 2d9x s MET 15 N -3.50 3.21 -0.17 1.70 -1.94 -1.19 0.31 119.30 117.74 2d9x s MET 15 Ca 0.31 -0.83 -0.07 0.00 -1.71 0.00 0.00 55.69 53.39 2d9x s MET 15 Cb -0.08 -3.90 -0.04 0.00 2.01 0.00 0.00 34.83 32.82 2d9x s MET 15 CO 0.21 -0.62 0.06 0.21 -0.01 0.00 0.00 175.02 174.88 2d9x s LYS 16 N 1.73 3.82 0.05 2.03 2.20 -0.29 -2.75 119.74 126.53 2d9x s LYS 16 Ca 0.06 -0.33 -0.30 0.00 -0.36 0.00 0.00 55.97 55.04 2d9x s LYS 16 Cb -0.18 -3.17 -0.08 0.00 -1.51 0.00 0.00 37.83 32.90 2d9x s LYS 16 CO 0.10 0.37 1.63 -0.47 -0.36 0.00 0.00 175.35 176.63 2d9x s TYR 17 N 0.09 2.38 -0.20 4.03 5.04 -1.08 -2.84 117.35 124.77 2d9x s TYR 17 Ca 0.05 0.34 0.08 0.00 -2.44 0.00 0.00 57.07 55.09 2d9x s TYR 17 Cb -0.12 -3.93 -0.18 0.00 0.35 0.00 0.00 41.96 38.08 2d9x s TYR 17 CO 0.01 -3.76 -0.09 -2.37 -1.34 0.00 0.00 175.55 168.00 2d9x n THR 18 N 4.83 1.25 -3.93 4.34 5.66 -1.18 -4.97 114.28 120.29 2d9x n THR 18 Ca 0.16 -0.60 0.00 0.00 -3.05 0.00 0.00 64.05 60.56 2d9x n THR 18 Cb 0.41 -0.97 0.01 0.00 -1.55 0.00 0.00 70.33 68.23 2d9x n THR 18 CO 0.00 0.00 0.00 0.21 -3.05 0.00 0.00 175.07 172.23 2d9x s ASN 19 N -5.74 0.00 0.00 1.09 2.47 -1.25 -5.00 114.94 106.51 2d9x s ASN 19 Ca -0.21 -0.38 0.00 0.00 0.42 0.00 0.00 52.86 52.69 2d9x s ASN 19 Cb 0.07 0.28 0.00 0.00 -1.45 0.00 0.00 41.25 40.15 2d9x s ASN 19 CO 0.60 -0.56 0.28 0.18 -3.72 0.00 0.00 177.10 173.88 2d9x n LEU 20 N -0.80 0.96 -0.31 3.21 4.32 -1.26 -0.39 117.00 122.73 2d9x n LEU 20 Ca 0.00 0.43 0.16 0.00 -0.02 0.00 0.00 56.01 56.59 2d9x n LEU 20 Cb 0.59 -0.25 0.34 0.00 -1.62 0.00 0.00 43.42 42.49 2d9x n LEU 20 CO 0.17 -0.25 0.98 1.62 -1.22 0.00 0.00 177.39 178.70 2d9x h VAL 21 N 0.00 0.28 -0.30 4.08 3.04 -2.04 0.24 116.25 121.55 2d9x h VAL 21 Ca 0.00 -0.08 -0.13 0.00 -1.01 0.00 0.00 66.70 65.49 2d9x h VAL 21 Cb 0.00 0.05 -0.00 0.00 -2.01 0.00 0.00 31.29 29.32 2d9x h VAL 21 CO 0.00 0.04 -0.31 0.74 -1.01 0.00 0.00 177.57 177.03 2d9x h THR 22 N 0.22 1.30 0.00 3.17 2.02 -1.97 -3.49 112.91 114.16 2d9x h THR 22 Ca 0.61 -1.49 0.00 0.00 0.77 0.00 0.00 66.41 66.30 2d9x h THR 22 Cb 1.29 1.56 0.00 0.00 -1.74 0.00 0.00 68.15 69.26 2d9x h THR 22 CO -0.66 0.48 0.00 0.61 0.37 0.00 0.00 175.52 176.32 2d9x n GLY 23 N 0.18 -0.04 3.81 2.16 0.00 0.84 -4.86 105.19 107.27 2d9x n GLY 23 Ca -0.04 -1.03 -0.33 0.00 0.00 0.00 0.00 46.02 44.63 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 3.08 -0.07 1.61 0.52 -1.26 -3.11 118.94 119.71 2d9x s TRP 24 Ca 0.00 1.51 -0.03 0.00 0.02 0.00 0.00 56.10 57.60 2d9x s TRP 24 Cb 0.00 -2.97 0.04 0.00 -1.15 0.00 0.00 33.47 29.39 2d9x s TRP 24 CO 0.00 -0.93 0.17 -0.65 0.02 0.00 0.00 176.95 175.55 2d9x s GLN 25 N -3.97 0.12 0.12 4.98 -1.52 -1.13 -4.91 119.66 113.35 2d9x s GLN 25 Ca 0.63 0.39 -0.31 0.00 -1.95 0.00 0.00 55.36 54.12 2d9x s GLN 25 Cb -0.15 -0.15 -0.08 0.00 -0.22 0.00 0.00 33.01 32.41 2d9x s GLN 25 CO 0.34 -0.15 1.45 0.71 -0.25 0.00 0.00 175.29 177.38 2d9x s TYR 26 N 1.11 3.14 0.01 0.91 2.02 -1.26 -1.13 117.35 122.15 2d9x s TYR 26 Ca -0.08 0.83 -0.10 0.00 -0.37 0.00 0.00 57.07 57.35 2d9x s TYR 26 Cb -0.11 -3.76 0.01 0.00 -0.40 0.00 0.00 41.96 37.70 2d9x s TYR 26 CO -0.06 -2.74 0.20 1.03 -1.57 0.00 0.00 175.55 172.41 2d9x s ARG 27 N 1.24 0.60 -0.07 -0.62 1.81 0.15 -4.90 118.95 117.15 2d9x s ARG 27 Ca 0.66 -0.44 -0.16 0.00 -1.72 0.00 0.00 55.73 54.07 2d9x s ARG 27 Cb -0.39 0.25 -0.05 0.00 -0.45 0.00 0.00 34.95 34.32 2d9x s ARG 27 CO 0.30 -0.16 0.43 0.12 -0.68 0.00 0.00 175.30 175.32 2d9x s PHE 28 N -1.83 3.59 0.09 -0.53 5.36 -1.00 0.48 117.98 124.14 2d9x s PHE 28 Ca -0.11 0.91 0.09 0.00 -0.96 0.00 0.00 56.93 56.85 2d9x s PHE 28 Cb -0.05 -2.43 -0.03 0.00 -0.34 0.00 0.00 43.02 40.17 2d9x s PHE 28 CO 0.00 0.36 -0.23 -0.06 -1.46 0.00 0.00 175.22 173.84 2d9x s PHE 29 N -0.06 1.94 -0.23 10.12 0.40 -1.04 -1.20 117.98 127.91 2d9x s PHE 29 Ca 0.24 -0.40 -0.03 0.00 -0.60 0.00 0.00 56.93 56.14 2d9x s PHE 29 Cb -0.16 -1.10 0.10 0.00 0.51 0.00 0.00 43.02 42.38 2d9x s PHE 29 CO 0.11 0.19 0.22 0.08 0.70 0.00 0.00 175.22 176.52 2d9x s VAL 30 N -1.01 -0.30 0.40 -0.44 1.01 -0.64 -1.87 120.40 117.55 2d9x s VAL 30 Ca 0.09 -0.27 -0.25 0.00 0.00 0.00 0.00 61.98 61.55 2d9x s VAL 30 Cb -0.10 -0.77 -0.08 0.00 0.00 0.00 0.00 36.38 35.43 2d9x s VAL 30 CO 0.04 -0.32 1.13 -0.22 0.00 0.00 0.00 175.10 175.73 2d9x s LEU 31 N 2.30 4.17 -0.28 3.92 2.96 0.94 -3.45 118.68 129.24 2d9x s LEU 31 Ca 0.07 2.26 0.03 0.00 -0.22 0.00 0.00 54.13 56.27 2d9x s LEU 31 Cb -0.15 -4.08 0.07 0.00 0.50 0.00 0.00 46.19 42.52 2d9x s LEU 31 CO -0.19 -0.65 -0.07 0.21 -1.32 0.00 0.00 176.35 174.34 2d9x s ASN 32 N -1.27 4.55 -0.08 3.68 2.47 -0.90 -4.14 114.94 119.26 2d9x s ASN 32 Ca 0.58 -1.53 -0.25 0.00 0.42 0.00 0.00 52.86 52.08 2d9x s ASN 32 Cb -0.28 -1.58 -0.26 0.00 -1.45 0.00 0.00 41.25 37.68 2d9x s ASN 32 CO 0.35 -0.23 0.92 -1.13 -3.72 0.00 0.00 177.10 173.29 2d9x h ASN 33 N 7.77 0.22 -0.41 -4.21 -0.73 -1.88 0.76 115.58 117.09 2d9x h ASN 33 Ca -0.17 -0.88 0.09 0.00 1.87 0.00 0.00 56.30 57.21 2d9x h ASN 33 Cb 1.04 -0.07 -0.09 0.00 0.27 0.00 0.00 38.32 39.47 2d9x h ASN 33 CO 0.48 1.07 -0.24 -0.08 -0.37 0.00 0.00 177.43 178.29 2d9x h GLU 34 N -0.61 -0.16 0.05 6.67 4.81 -1.94 -3.14 114.58 120.26 2d9x h GLU 34 Ca -0.05 0.01 -0.24 0.00 -0.13 0.00 0.00 59.36 58.95 2d9x h GLU 34 Cb 1.15 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.55 2d9x h GLU 34 CO 0.06 -0.11 -1.29 0.00 -0.73 0.00 0.00 179.01 176.94 2d9x h ALA 35 N 1.03 0.24 -0.04 2.92 0.00 -2.00 -3.49 119.26 117.92 2d9x h ALA 35 Ca 0.20 -1.14 0.00 0.00 0.00 0.00 0.00 54.91 53.96 2d9x h ALA 35 Cb 0.48 0.60 0.00 0.00 0.00 0.00 0.00 17.79 18.87 2d9x h ALA 35 CO -0.51 0.76 0.00 0.41 0.00 0.00 0.00 179.25 179.91 2d9x n GLY 36 N 1.61 1.45 3.21 0.00 0.00 0.26 -5.09 105.19 106.63 2d9x n GLY 36 Ca -0.28 -0.07 -0.26 0.00 0.00 0.00 0.00 46.02 45.41 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 -0.04 2.07 -0.36 0.99 1.43 -1.04 -3.79 118.68 117.95 2d9x s LEU 37 Ca 0.00 -0.39 -0.12 0.00 -1.03 0.00 0.00 54.13 52.59 2d9x s LEU 37 Cb 0.00 -0.98 0.00 0.00 0.03 0.00 0.00 46.19 45.24 2d9x s LEU 37 CO 0.00 0.21 0.23 -0.22 0.23 0.00 0.00 176.35 176.81 2d9x s LEU 38 N -0.63 4.62 0.28 1.79 2.96 -1.04 -2.11 118.68 124.54 2d9x s LEU 38 Ca 0.07 -0.66 0.11 0.00 -0.22 0.00 0.00 54.13 53.42 2d9x s LEU 38 Cb -0.08 -2.10 -0.05 0.00 0.50 0.00 0.00 46.19 44.47 2d9x s LEU 38 CO -0.00 -0.31 -0.09 -1.61 -1.32 0.00 0.00 176.35 173.02 2d9x s GLU 39 N 1.66 2.01 -0.12 1.98 2.02 -1.22 -1.34 118.70 123.69 2d9x s GLU 39 Ca 0.05 -1.60 -0.05 0.00 0.02 0.00 0.00 54.97 53.38 2d9x s GLU 39 Cb -0.18 -1.97 0.05 0.00 0.10 0.00 0.00 34.13 32.14 2d9x s GLU 39 CO 0.09 0.33 0.25 1.52 0.02 0.00 0.00 175.26 177.47 2d9x s TYR 40 N -2.42 -0.37 0.06 1.61 1.13 -1.19 -1.63 117.35 114.54 2d9x s TYR 40 Ca 0.31 0.88 0.05 0.00 -1.41 0.00 0.00 57.07 56.89 2d9x s TYR 40 Cb -0.05 0.01 -0.04 0.00 -1.10 0.00 0.00 41.96 40.78 2d9x s TYR 40 CO 0.18 -0.29 -0.04 -0.06 -2.51 0.00 0.00 175.55 172.82 2d9x s PHE 41 N 1.82 2.91 0.29 -3.49 0.40 -0.34 -1.66 117.98 117.91 2d9x s PHE 41 Ca -0.04 -0.05 0.07 0.00 -0.60 0.00 0.00 56.93 56.31 2d9x s PHE 41 Cb -0.11 -1.54 0.85 0.00 0.51 0.00 0.00 43.02 42.72 2d9x s PHE 41 CO -0.09 0.44 1.40 0.28 0.70 0.00 0.00 175.22 177.95 2d9x n VAL 42 N 0.94 -0.38 -3.56 -0.44 0.31 -1.26 -2.38 118.33 111.57 2d9x n VAL 42 Ca -0.13 1.92 -0.11 0.00 -0.01 0.00 0.00 64.34 66.01 2d9x n VAL 42 Cb 0.52 -2.90 -0.04 0.00 -0.91 0.00 0.00 33.84 30.51 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 -4.87 -0.39 0.31 4.52 2.20 -1.26 -4.00 114.94 111.45 2d9x s ASN 43 Ca -0.10 0.34 0.20 0.00 -0.94 0.00 0.00 52.86 52.35 2d9x s ASN 43 Cb 0.28 0.33 1.10 0.00 -2.00 0.00 0.00 41.25 40.96 2d9x s ASN 43 CO 0.70 -0.41 1.24 -0.62 -2.94 0.00 0.00 177.10 175.07 2d9x n GLU 44 N 0.53 -0.04 -0.10 3.55 1.02 -1.26 0.19 120.64 124.53 2d9x n GLU 44 Ca -0.10 1.06 -0.07 0.00 -0.02 0.00 0.00 57.16 58.03 2d9x n GLU 44 Cb 0.59 -1.96 0.01 0.00 -0.02 0.00 0.00 31.44 30.06 2d9x n GLU 44 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 2d9x h GLN 45 N 0.00 0.23 -1.92 3.49 4.20 -1.96 -2.41 115.11 116.75 2d9x h GLN 45 Ca 0.68 -0.01 -0.31 0.00 0.06 0.00 0.00 58.65 59.07 2d9x h GLN 45 Cb 1.93 -0.05 -0.11 0.00 0.30 0.00 0.00 27.48 29.55 2d9x h GLN 45 CO -0.53 0.15 0.09 0.43 -0.67 0.00 0.00 178.83 178.31 2d9x n SER 46 N -5.04 5.94 -0.08 1.46 7.64 0.49 -4.33 113.62 119.69 2d9x n SER 46 Ca 0.01 -2.85 -0.11 0.00 1.01 0.00 0.00 58.87 56.92 2d9x n SER 46 Cb 0.13 -1.25 -0.05 0.00 -1.01 0.00 0.00 64.21 62.02 2d9x n SER 46 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2d9x n ARG 47 N 1.39 0.50 -0.72 1.43 5.12 -0.91 -4.34 116.66 119.13 2d9x n ARG 47 Ca 0.38 0.51 -0.06 0.00 -1.93 0.00 0.00 57.85 56.75 2d9x n ARG 47 Cb 0.67 -1.69 -0.09 0.00 -1.16 0.00 0.00 32.46 30.19 2d9x n ARG 47 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 2d9x n ASN 48 N -4.54 4.83 0.00 0.55 4.13 -1.26 -3.97 115.26 115.00 2d9x n ASN 48 Ca -0.17 -2.35 0.00 0.00 1.68 0.00 0.00 54.58 53.74 2d9x n ASN 48 Cb 0.43 -1.19 0.00 0.00 -1.54 0.00 0.00 39.78 37.49 2d9x n ASN 48 CO 0.00 0.00 0.00 1.67 0.28 0.00 0.00 177.26 179.21 2d9x n GLN 49 N 2.13 0.00 -3.65 3.52 -0.06 -1.26 -5.15 117.38 112.91 2d9x n GLN 49 Ca 0.23 0.00 -0.01 0.00 -2.00 0.00 0.00 57.00 55.22 2d9x n GLN 49 Cb 0.68 0.00 -0.06 0.00 -4.06 0.00 0.00 30.24 26.80 2d9x n GLN 49 CO 0.00 0.00 0.00 0.21 -0.20 0.00 0.00 177.06 177.07 2d9x s LYS 50 N -0.85 0.17 -0.00 3.69 2.36 -1.25 -5.14 119.74 118.72 2d9x s LYS 50 Ca 0.00 0.27 -0.30 0.00 -2.55 0.00 0.00 55.97 53.39 2d9x s LYS 50 Cb 0.00 0.05 -0.06 0.00 -1.05 0.00 0.00 37.83 36.77 2d9x s LYS 50 CO 0.00 -0.03 1.45 -1.25 1.55 0.00 0.00 175.35 177.07 2d9x s PRO 51 N 0.85 4.26 0.35 4.03 0.04 -1.26 -4.88 135.00 138.39 2d9x s PRO 51 Ca -0.04 2.02 0.12 0.00 0.04 0.00 0.00 61.00 63.14 2d9x s PRO 51 Cb -0.03 -3.62 0.91 0.00 0.04 0.00 0.00 34.50 31.80 2d9x s PRO 51 CO -0.12 -0.63 1.79 0.00 0.04 0.00 0.00 177.00 178.09 2d9x h ARG 52 N 8.05 0.57 -1.50 4.56 2.47 -1.70 -3.44 114.38 123.39 2d9x h ARG 52 Ca -0.38 -0.03 0.09 0.00 -1.26 0.00 0.00 59.98 58.40 2d9x h ARG 52 Cb 1.18 -0.13 -0.25 0.00 -1.65 0.00 0.00 29.97 29.12 2d9x h ARG 52 CO 0.91 0.38 0.57 0.20 0.56 0.00 0.00 179.97 182.59 2d9x s GLY 53 N -3.81 -0.15 -0.02 0.04 0.00 -1.25 -5.03 107.32 97.10 2d9x s GLY 53 Ca -0.10 2.43 0.08 0.00 0.00 0.00 0.00 44.72 47.13 2d9x s GLY 53 CO 0.80 1.40 -0.26 -0.51 0.00 0.00 0.00 173.10 174.52 2d9x s THR 54 N -0.53 2.04 -0.12 0.90 -4.23 -1.26 -3.15 115.64 109.29 2d9x s THR 54 Ca 0.01 -1.11 -0.00 0.00 -1.18 0.00 0.00 61.69 59.41 2d9x s THR 54 Cb -0.02 -1.70 0.03 0.00 1.34 0.00 0.00 72.50 72.15 2d9x s THR 54 CO -0.03 0.58 -0.07 -0.22 -0.54 0.00 0.00 174.62 174.34 2d9x s LEU 55 N -0.60 1.23 0.40 4.79 2.96 -0.45 -4.96 118.68 122.05 2d9x s LEU 55 Ca 0.10 -0.35 -0.27 0.00 -0.22 0.00 0.00 54.13 53.39 2d9x s LEU 55 Cb -0.10 -0.84 -0.09 0.00 0.50 0.00 0.00 46.19 45.66 2d9x s LEU 55 CO -0.01 -0.13 1.34 -1.10 -1.32 0.00 0.00 176.35 175.13 2d9x s GLN 56 N 1.71 4.01 -0.19 1.98 -0.21 -1.26 -2.51 119.66 123.18 2d9x s GLN 56 Ca 0.04 2.25 0.09 0.00 0.02 0.00 0.00 55.36 57.76 2d9x s GLN 56 Cb -0.13 -2.82 -0.18 0.00 1.00 0.00 0.00 33.01 30.88 2d9x s GLN 56 CO -0.08 -0.49 -0.06 1.28 -2.12 0.00 0.00 175.29 173.82 2d9x n LEU 57 N 0.23 1.40 -4.49 2.90 4.77 -1.25 -4.83 117.00 115.73 2d9x n LEU 57 Ca 0.03 -0.06 -0.42 0.00 -0.03 0.00 0.00 56.01 55.53 2d9x n LEU 57 Cb 0.43 -0.14 -0.12 0.00 -2.33 0.00 0.00 43.42 41.26 2d9x n LEU 57 CO 0.58 0.63 2.12 0.00 -1.33 0.00 0.00 177.39 179.39 2d9x n ALA 58 N -2.87 0.44 -1.20 -1.18 0.00 -1.26 0.31 120.51 114.74 2d9x n ALA 58 Ca -0.33 -0.37 0.00 0.00 0.00 0.00 0.00 53.44 52.74 2d9x n ALA 58 Cb 0.99 -2.47 0.00 0.00 0.00 0.00 0.00 19.45 17.97 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 6.48 1.03 3.64 0.00 0.00 -1.21 -4.74 105.19 110.39 2d9x n GLY 59 Ca 0.57 -0.37 -0.24 0.00 0.00 0.00 0.00 46.02 45.98 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 -2.38 3.23 -0.01 4.61 0.00 0.15 -0.97 121.76 126.39 2d9x s ALA 60 Ca 0.00 -1.88 0.07 0.00 0.00 0.00 0.00 51.96 50.15 2d9x s ALA 60 Cb 0.00 -0.51 -0.02 0.00 0.00 0.00 0.00 23.12 22.60 2d9x s ALA 60 CO 0.00 0.11 -0.22 0.08 0.00 0.00 0.00 175.76 175.73 2d9x s VAL 61 N -2.47 1.72 -0.22 0.00 1.01 -1.24 -4.87 120.40 114.34 2d9x s VAL 61 Ca 0.34 -0.97 0.00 0.00 0.00 0.00 0.00 61.98 61.36 2d9x s VAL 61 Cb -0.02 -1.44 0.03 0.00 0.00 0.00 0.00 36.38 34.95 2d9x s VAL 61 CO 0.20 0.45 -0.13 -0.63 0.00 0.00 0.00 175.10 174.99 2d9x s ILE 62 N -0.55 2.41 -0.60 2.22 1.09 -1.26 0.01 121.20 124.53 2d9x s ILE 62 Ca 0.08 -1.08 -0.04 0.00 -1.10 0.00 0.00 60.65 58.51 2d9x s ILE 62 Cb -0.08 -2.17 0.16 0.00 -1.06 0.00 0.00 42.46 39.30 2d9x s ILE 62 CO -0.00 0.31 0.42 -0.44 -0.10 0.00 0.00 174.94 175.13 2d9x s SER 63 N 1.27 5.35 0.13 3.58 0.01 -1.12 -5.00 113.70 117.92 2d9x s SER 63 Ca 0.01 -2.69 -0.31 0.00 1.31 0.00 0.00 55.95 54.27 2d9x s SER 63 Cb -0.16 -1.88 -0.08 0.00 0.21 0.00 0.00 66.02 64.12 2d9x s SER 63 CO -0.08 -0.42 1.35 -2.16 0.41 0.00 0.00 173.24 172.34 2d9x s PRO 64 N 0.18 4.35 1.13 12.44 0.04 -1.26 -3.47 135.00 148.42 2d9x s PRO 64 Ca 0.15 2.04 -0.18 0.00 0.04 0.00 0.00 61.00 63.05 2d9x s PRO 64 Cb -0.20 -3.25 0.12 0.00 0.04 0.00 0.00 34.50 31.22 2d9x s PRO 64 CO -0.04 -0.37 0.08 -1.13 0.04 0.00 0.00 177.00 175.58 2d9x n SER 65 N 3.63 -2.33 0.00 6.66 3.41 -1.19 -4.99 113.62 118.81 2d9x n SER 65 Ca 0.10 -0.14 0.00 0.00 -0.26 0.00 0.00 58.87 58.57 2d9x n SER 65 Cb 0.43 -0.98 0.00 0.00 -0.26 0.00 0.00 64.21 63.40 2d9x n SER 65 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2d9x n ASP 66 N -1.98 3.13 0.00 4.04 -0.08 -1.26 -4.93 116.55 115.48 2d9x n ASP 66 Ca 0.01 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.29 2d9x n ASP 66 Cb 0.62 0.12 0.00 0.00 2.34 0.00 0.00 41.12 44.19 2d9x n ASP 66 CO 0.00 0.00 0.00 1.21 0.12 0.00 0.00 177.20 178.53 2d9x n GLU 67 N -2.02 0.00 -1.13 -0.67 2.13 -1.26 -4.92 120.64 112.76 2d9x n GLU 67 Ca 0.00 0.41 -0.36 0.00 0.66 0.00 0.00 57.16 57.87 2d9x n GLU 67 Cb 0.36 -0.91 0.06 0.00 0.27 0.00 0.00 31.44 31.23 2d9x n GLU 67 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 2d9x n ASP 68 N -1.97 -2.54 0.05 4.31 9.92 -1.26 -4.95 116.55 120.11 2d9x n ASP 68 Ca 0.00 0.48 -0.03 0.00 -0.53 0.00 0.00 54.79 54.72 2d9x n ASP 68 Cb 0.00 -1.08 -0.01 0.00 -0.64 0.00 0.00 41.12 39.38 2d9x n ASP 68 CO 0.00 0.00 0.00 -1.28 0.13 0.00 0.00 177.20 176.05 2d9x h SER 69 N -0.63 -0.15 -3.55 -2.24 0.87 -1.98 -3.43 113.55 102.43 2d9x h SER 69 Ca -0.44 0.01 -0.70 0.00 -1.23 0.00 0.00 61.79 59.42 2d9x h SER 69 Cb 1.34 0.04 -0.31 0.00 -0.44 0.00 0.00 62.40 63.03 2d9x h SER 69 CO 0.38 0.06 -0.56 -1.00 -0.53 0.00 0.00 176.83 175.18 2d9x s HIS 70 N -2.14 3.39 -0.14 2.24 3.76 -1.26 -4.48 115.29 116.67 2d9x s HIS 70 Ca -0.03 -1.87 -0.30 0.00 -0.15 0.00 0.00 55.06 52.71 2d9x s HIS 70 Cb 0.00 -2.79 0.12 0.00 1.11 0.00 0.00 32.58 31.02 2d9x s HIS 70 CO 0.08 -0.86 0.93 0.99 -0.85 0.00 0.00 174.74 175.03 2d9x s THR 71 N 1.30 0.00 -0.21 1.30 2.01 -1.26 -4.42 115.64 114.35 2d9x s THR 71 Ca 0.02 0.00 -0.31 0.00 0.31 0.00 0.00 61.69 61.71 2d9x s THR 71 Cb -0.22 -1.00 0.15 0.00 0.01 0.00 0.00 72.50 71.45 2d9x s THR 71 CO -0.00 0.00 1.19 0.72 -0.69 0.00 0.00 174.62 175.84 2d9x s PHE 72 N -1.09 -0.17 0.05 4.92 -0.71 -1.15 -3.16 117.98 116.66 2d9x s PHE 72 Ca -0.04 0.24 0.07 0.00 -1.04 0.00 0.00 56.93 56.16 2d9x s PHE 72 Cb -0.00 0.49 -0.03 0.00 -1.21 0.00 0.00 43.02 42.27 2d9x s PHE 72 CO 0.03 -0.19 -0.19 0.95 -1.34 0.00 0.00 175.22 174.48 2d9x s THR 73 N -1.53 1.51 -0.32 -4.49 -4.23 -1.23 -2.72 115.64 102.63 2d9x s THR 73 Ca 0.06 -1.19 0.02 0.00 -1.18 0.00 0.00 61.69 59.40 2d9x s THR 73 Cb -0.01 -1.34 0.09 0.00 1.34 0.00 0.00 72.50 72.58 2d9x s THR 73 CO -0.04 0.11 0.02 -0.69 -0.54 0.00 0.00 174.62 173.48 2d9x s VAL 74 N -0.87 2.48 0.97 2.29 1.01 -0.84 -2.78 120.40 122.66 2d9x s VAL 74 Ca 0.06 -2.01 -0.16 0.00 0.00 0.00 0.00 61.98 59.87 2d9x s VAL 74 Cb -0.09 -2.67 0.21 0.00 0.00 0.00 0.00 36.38 33.84 2d9x s VAL 74 CO 0.02 -0.41 1.33 0.20 0.00 0.00 0.00 175.10 176.24 2d9x s ASN 75 N 1.13 3.02 -0.16 3.32 0.01 0.10 -1.23 114.94 121.13 2d9x s ASN 75 Ca 0.03 0.18 -0.12 0.00 -0.71 0.00 0.00 52.86 52.25 2d9x s ASN 75 Cb -0.20 -0.19 0.05 0.00 0.41 0.00 0.00 41.25 41.32 2d9x s ASN 75 CO -0.06 -2.79 0.40 0.00 -1.51 0.00 0.00 177.10 173.14 2d9x s ALA 76 N -3.89 -1.00 0.16 0.60 0.00 0.24 -3.65 121.76 114.22 2d9x s ALA 76 Ca 0.75 1.28 -0.20 0.00 0.00 0.00 0.00 51.96 53.79 2d9x s ALA 76 Cb -0.03 -0.76 0.06 0.00 0.00 0.00 0.00 23.12 22.39 2d9x s ALA 76 CO 0.53 -0.22 1.27 0.00 0.00 0.00 0.00 175.76 177.35 2d9x n ALA 77 N 3.46 -0.32 -0.21 0.00 0.00 -0.14 -0.04 120.51 123.26 2d9x n ALA 77 Ca -0.18 0.76 -0.08 0.00 0.00 0.00 0.00 53.44 53.94 2d9x n ALA 77 Cb 0.56 -0.24 -0.03 0.00 0.00 0.00 0.00 19.45 19.75 2d9x n ALA 77 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2d9x h SER 78 N 0.00 -1.47 0.00 0.00 0.02 -1.95 -3.45 113.55 106.70 2d9x h SER 78 Ca 0.21 0.25 0.00 0.00 -0.84 0.00 0.00 61.79 61.40 2d9x h SER 78 Cb 0.41 0.68 0.00 0.00 0.14 0.00 0.00 62.40 63.63 2d9x h SER 78 CO -0.80 -0.33 0.00 0.61 -1.14 0.00 0.00 176.83 175.17 2d9x n GLY 79 N -1.41 -0.23 2.94 -3.77 0.00 0.95 -5.17 105.19 98.50 2d9x n GLY 79 Ca 0.02 -0.13 -0.12 0.00 0.00 0.00 0.00 46.02 45.79 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 0.11 0.06 1.61 2.56 -1.22 -4.95 118.70 116.87 2d9x s GLU 80 Ca 0.00 -0.03 0.08 0.00 0.00 0.00 0.00 54.97 55.02 2d9x s GLU 80 Cb 0.00 0.05 -0.03 0.00 2.00 0.00 0.00 34.13 36.15 2d9x s GLU 80 CO 0.00 -0.02 -0.23 -1.14 -0.56 0.00 0.00 175.26 173.32 2d9x s GLN 81 N -0.21 1.45 -0.16 4.30 0.74 -1.26 -0.59 119.66 123.93 2d9x s GLN 81 Ca -0.02 -1.04 0.00 0.00 0.05 0.00 0.00 55.36 54.35 2d9x s GLN 81 Cb -0.02 -1.63 0.00 0.00 1.10 0.00 0.00 33.01 32.47 2d9x s GLN 81 CO 0.00 0.41 -0.16 0.71 -0.55 0.00 0.00 175.29 175.70 2d9x s TYR 82 N -0.87 2.78 -0.71 1.67 1.51 -0.37 -4.91 117.35 116.44 2d9x s TYR 82 Ca 0.09 -1.19 -0.20 0.00 -1.01 0.00 0.00 57.07 54.76 2d9x s TYR 82 Cb -0.09 -1.90 0.11 0.00 -0.11 0.00 0.00 41.96 39.96 2d9x s TYR 82 CO 0.03 -0.57 0.90 0.21 -1.11 0.00 0.00 175.55 175.01 2d9x s LYS 83 N 0.96 3.24 0.42 -0.62 2.20 -1.26 -1.99 119.74 122.69 2d9x s LYS 83 Ca -0.03 -1.35 0.06 0.00 -0.36 0.00 0.00 55.97 54.30 2d9x s LYS 83 Cb -0.15 -4.43 -0.07 0.00 -1.51 0.00 0.00 37.83 31.67 2d9x s LYS 83 CO -0.03 -1.67 0.03 -0.51 -0.36 0.00 0.00 175.35 172.80 2d9x s LEU 84 N 2.97 2.84 -0.05 5.43 1.43 -1.10 -2.62 118.68 127.57 2d9x s LEU 84 Ca 0.21 -1.37 -0.06 0.00 -1.03 0.00 0.00 54.13 51.87 2d9x s LEU 84 Cb -0.16 -0.93 0.01 0.00 0.03 0.00 0.00 46.19 45.14 2d9x s LEU 84 CO 0.02 -0.50 0.17 -0.60 0.23 0.00 0.00 176.35 175.67 2d9x s ARG 85 N -3.75 0.25 0.65 1.70 3.52 -1.11 -2.93 118.95 117.28 2d9x s ARG 85 Ca 0.33 0.14 -0.07 0.00 -0.13 0.00 0.00 55.73 56.00 2d9x s ARG 85 Cb 0.09 0.11 0.04 0.00 -1.56 0.00 0.00 34.95 33.63 2d9x s ARG 85 CO 0.17 -0.04 0.97 0.00 -0.81 0.00 0.00 175.30 175.59 2d9x s ALA 86 N -0.14 3.21 0.11 6.12 0.00 -1.26 -3.13 121.76 126.66 2d9x s ALA 86 Ca -0.02 -0.79 -0.14 0.00 0.00 0.00 0.00 51.96 51.00 2d9x s ALA 86 Cb -0.02 -2.62 -0.09 0.00 0.00 0.00 0.00 23.12 20.39 2d9x s ALA 86 CO 0.00 -1.07 1.41 0.00 0.00 0.00 0.00 175.76 176.10 2d9x h THR 87 N -0.42 1.30 -4.11 0.00 1.03 -1.89 -3.46 112.91 105.36 2d9x h THR 87 Ca -0.45 -1.54 -0.15 0.00 -0.01 0.00 0.00 66.41 64.26 2d9x h THR 87 Cb 1.29 1.60 -0.18 0.00 -1.07 0.00 0.00 68.15 69.79 2d9x h THR 87 CO 0.61 0.50 -0.69 -1.81 -0.01 0.00 0.00 175.52 174.11 2d9x s ASP 88 N -6.67 0.43 0.45 0.00 1.01 -1.26 -5.01 116.67 105.62 2d9x s ASP 88 Ca -0.12 -0.78 0.24 0.00 0.71 0.00 0.00 52.55 52.60 2d9x s ASP 88 Cb 0.09 0.15 1.26 0.00 1.01 0.00 0.00 42.92 45.43 2d9x s ASP 88 CO 0.85 -0.46 1.79 0.00 0.21 0.00 0.00 175.17 177.56 2d9x h ALA 89 N 3.79 2.52 -0.27 5.23 0.00 -1.89 0.31 119.26 128.95 2d9x h ALA 89 Ca -0.33 0.03 -0.19 0.00 0.00 0.00 0.00 54.91 54.41 2d9x h ALA 89 Cb 1.17 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.01 2d9x h ALA 89 CO 0.55 -0.90 -0.57 -0.22 0.00 0.00 0.00 179.25 178.11 2d9x h LYS 90 N 0.25 0.85 0.00 0.00 3.11 -1.96 -2.87 116.57 115.96 2d9x h LYS 90 Ca 0.57 -0.56 0.00 0.00 -2.81 0.00 0.00 60.65 57.85 2d9x h LYS 90 Cb 1.72 0.07 0.00 0.00 -1.00 0.00 0.00 32.23 33.03 2d9x h LYS 90 CO -0.19 1.19 0.00 -1.91 -2.81 0.00 0.00 179.45 175.73 2d9x n GLU 91 N -4.00 0.13 -0.01 1.90 4.07 0.98 -3.09 120.64 120.62 2d9x n GLU 91 Ca -0.05 0.34 -0.13 0.00 -0.06 0.00 0.00 57.16 57.27 2d9x n GLU 91 Cb 0.64 -1.73 -0.08 0.00 -0.06 0.00 0.00 31.44 30.21 2d9x n GLU 91 CO 0.00 0.00 0.00 -0.09 -0.06 0.00 0.00 177.13 176.98 2d9x h ARG 92 N 0.00 0.07 -0.64 5.31 1.12 -1.04 -2.57 114.38 116.62 2d9x h ARG 92 Ca 0.00 -0.02 -0.07 0.00 -1.11 0.00 0.00 59.98 58.78 2d9x h ARG 92 Cb 0.35 -0.00 -0.03 0.00 -0.01 0.00 0.00 29.97 30.28 2d9x h ARG 92 CO 0.00 0.40 0.14 -0.56 -3.11 0.00 0.00 179.97 176.84 2d9x h GLN 93 N -0.28 1.03 0.13 0.20 3.07 -1.65 -1.56 115.11 116.06 2d9x h GLN 93 Ca 0.01 -0.24 0.01 0.00 0.09 0.00 0.00 58.65 58.52 2d9x h GLN 93 Cb 0.38 -0.14 -0.03 0.00 0.08 0.00 0.00 27.48 27.78 2d9x h GLN 93 CO 0.00 0.92 -0.21 1.25 0.09 0.00 0.00 178.83 180.88 2d9x h HIS 94 N 0.97 -0.57 -0.26 0.06 2.76 -1.57 0.38 115.15 116.93 2d9x h HIS 94 Ca 0.20 0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.37 2d9x h HIS 94 Cb 0.37 0.23 -0.01 0.00 1.55 0.00 0.00 27.41 29.55 2d9x h HIS 94 CO 0.03 -0.31 0.12 -1.49 -1.30 0.00 0.00 177.93 174.97 2d9x h TRP 95 N -0.42 0.38 -0.29 5.26 4.06 -1.38 0.67 115.95 124.23 2d9x h TRP 95 Ca 0.02 -0.02 -0.01 0.00 2.06 0.00 0.00 58.89 60.94 2d9x h TRP 95 Cb 0.43 -0.11 -0.01 0.00 -1.00 0.00 0.00 29.16 28.46 2d9x h TRP 95 CO -0.19 0.37 0.15 0.28 -3.56 0.00 0.00 178.44 175.49 2d9x h VAL 96 N 0.27 1.10 0.10 1.49 2.07 -1.06 -0.87 116.25 119.35 2d9x h VAL 96 Ca 0.09 -0.26 -0.00 0.00 0.82 0.00 0.00 66.70 67.34 2d9x h VAL 96 Cb 0.14 0.71 0.00 0.00 -1.52 0.00 0.00 31.29 30.63 2d9x h VAL 96 CO -0.01 0.11 -0.05 0.28 0.02 0.00 0.00 177.57 177.92 2d9x h SER 97 N 0.40 -0.11 -0.88 0.57 0.02 0.17 -1.66 113.55 112.06 2d9x h SER 97 Ca 0.11 -0.43 0.12 0.00 -0.84 0.00 0.00 61.79 60.75 2d9x h SER 97 Cb 0.03 0.03 -0.08 0.00 0.14 0.00 0.00 62.40 62.51 2d9x h SER 97 CO -0.02 0.52 0.50 0.03 -1.14 0.00 0.00 176.83 176.73 2d9x h ARG 98 N -0.91 0.74 -0.27 3.45 2.47 -0.76 0.32 114.38 119.43 2d9x h ARG 98 Ca -0.01 -0.04 -0.12 0.00 -1.26 0.00 0.00 59.98 58.54 2d9x h ARG 98 Cb 0.53 -0.17 -0.00 0.00 -1.65 0.00 0.00 29.97 28.68 2d9x h ARG 98 CO 0.02 0.49 -0.32 -0.07 0.56 0.00 0.00 179.97 180.66 2d9x h LEU 99 N 0.77 0.74 -1.39 3.04 3.38 -1.25 -1.87 115.31 118.73 2d9x h LEU 99 Ca 0.45 -0.49 -0.06 0.00 0.09 0.00 0.00 57.88 57.87 2d9x h LEU 99 Cb 0.53 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 2d9x h LEU 99 CO -0.30 1.08 -0.31 1.56 0.09 0.00 0.00 178.44 180.57 2d9x h GLN 100 N 0.42 0.00 0.18 1.13 4.20 -0.31 0.14 115.11 120.86 2d9x h GLN 100 Ca 0.04 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.74 2d9x h GLN 100 Cb 0.90 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.68 2d9x h GLN 100 CO 0.08 0.31 -0.08 0.82 -0.67 0.00 0.00 178.83 179.28 2d9x h ILE 101 N 0.00 0.65 0.44 2.54 2.04 -0.29 -3.17 117.51 119.72 2d9x h ILE 101 Ca -0.00 -1.10 -0.02 0.00 1.00 0.00 0.00 64.86 64.73 2d9x h ILE 101 Cb 0.54 1.11 0.00 0.00 -0.74 0.00 0.00 36.82 37.74 2d9x h ILE 101 CO 0.04 0.18 -0.21 0.00 0.00 0.00 0.00 178.15 178.16 2d9x h THR 103 N -0.69 0.19 0.00 0.00 1.03 -1.12 0.74 112.91 113.07 2d9x h THR 103 Ca -0.06 -0.04 -0.32 0.00 -0.01 0.00 0.00 66.41 65.99 2d9x h THR 103 Cb 0.50 0.07 -0.05 0.00 -1.07 0.00 0.00 68.15 67.60 2d9x h THR 103 CO 0.10 0.02 -1.91 0.00 -0.01 0.00 0.00 175.52 173.72 2d9x n GLN 104 N -4.55 0.65 0.20 0.00 6.02 -1.01 -2.85 117.38 115.84 2d9x n GLN 104 Ca 0.35 0.21 0.06 0.00 -0.01 0.00 0.00 57.00 57.61 2d9x n GLN 104 Cb 1.40 -1.72 0.43 0.00 1.02 0.00 0.00 30.24 31.37 2d9x n GLN 104 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 2d9x h HIS 105 N 0.00 0.00 0.00 1.08 2.76 0.58 -2.13 115.15 117.44 2d9x h HIS 105 Ca -0.36 0.00 -0.18 0.00 -2.20 0.00 0.00 60.37 57.63 2d9x h HIS 105 Cb 2.08 0.00 -0.03 0.00 1.55 0.00 0.00 27.41 31.01 2d9x h HIS 105 CO 0.00 0.32 -1.10 0.72 -1.30 0.00 0.00 177.93 176.58 2d9x n HIS 106 N -3.80 0.96 -0.35 5.26 8.25 0.13 -3.32 115.22 122.35 2d9x n HIS 106 Ca -0.01 0.42 0.12 0.00 -0.26 0.00 0.00 57.72 57.98 2d9x n HIS 106 Cb 0.41 -1.01 0.31 0.00 1.12 0.00 0.00 29.99 30.82 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 -1.00 0.75 -0.12 1.59 1.03 -1.59 -1.48 112.91 112.09 2d9x h THR 107 Ca -0.27 -0.28 -0.04 0.00 -0.01 0.00 0.00 66.41 65.81 2d9x h THR 107 Cb 1.10 -0.12 -0.00 0.00 -1.07 0.00 0.00 68.15 68.06 2d9x h THR 107 CO -0.16 0.15 -0.10 -0.33 -0.01 0.00 0.00 175.52 175.07 2d9x h GLU 108 N 0.80 0.27 -0.97 0.00 4.39 -1.56 -3.14 114.58 114.37 2d9x h GLU 108 Ca 0.56 -0.14 0.30 0.00 0.34 0.00 0.00 59.36 60.42 2d9x h GLU 108 Cb 0.82 0.00 -0.15 0.00 -0.10 0.00 0.00 28.75 29.32 2d9x h GLU 108 CO -0.35 0.66 0.48 0.00 -1.16 0.00 0.00 179.01 178.64 2d9x h ALA 109 N 0.60 1.76 -0.39 3.43 0.00 -1.27 -3.41 119.26 119.98 2d9x h ALA 109 Ca 0.02 0.20 -0.69 0.00 0.00 0.00 0.00 54.91 54.44 2d9x h ALA 109 Cb 0.60 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 2d9x h ALA 109 CO 0.03 -0.53 0.87 -0.89 0.00 0.00 0.00 179.25 178.72 2d9x n ILE 110 N -5.10 0.00 -1.40 0.00 2.08 -1.05 -4.61 119.36 109.28 2d9x n ILE 110 Ca 0.29 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.60 2d9x n ILE 110 Cb 0.90 -0.42 0.00 0.00 -0.75 0.00 0.00 39.64 39.36 2d9x n ILE 110 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2d9x n GLY 111 N 4.95 0.02 3.43 7.39 0.00 -1.26 -5.09 105.19 114.62 2d9x n GLY 111 Ca 0.37 -1.26 -0.63 0.00 0.00 0.00 0.00 46.02 44.50 2d9x n GLY 111 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2d9x n LYS 112 N 0.00 0.00 -0.28 1.61 5.02 -1.26 -4.78 118.16 118.47 2d9x n LYS 112 Ca 0.00 0.00 -0.07 0.00 -2.02 0.00 0.00 58.31 56.22 2d9x n LYS 112 Cb 0.00 -1.45 -0.07 0.00 -0.02 0.00 0.00 35.03 33.50 2d9x n LYS 112 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 2d9x n ASN 113 N 5.17 -0.71 -3.46 4.39 2.85 -1.26 -4.33 115.26 117.90 2d9x n ASN 113 Ca 0.39 1.29 -0.09 0.00 -0.11 0.00 0.00 54.58 56.06 2d9x n ASN 113 Cb -0.05 -0.20 -0.09 0.00 1.24 0.00 0.00 39.78 40.68 2d9x n ASN 113 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 2d9x s ASN 114 N -5.08 0.05 -1.23 1.20 4.22 -1.26 -4.95 114.94 107.89 2d9x s ASN 114 Ca -0.08 0.50 -0.20 0.00 -2.14 0.00 0.00 52.86 50.95 2d9x s ASN 114 Cb 0.07 1.19 0.05 0.00 1.28 0.00 0.00 41.25 43.84 2d9x s ASN 114 CO 0.42 -0.27 1.72 -0.55 -2.04 0.00 0.00 177.10 176.37 2d9x s SER 115 N 2.57 6.53 0.00 3.54 0.15 -1.26 -4.75 113.70 120.48 2d9x s SER 115 Ca 0.08 -2.15 0.00 0.00 0.70 0.00 0.00 55.95 54.57 2d9x s SER 115 Cb -0.14 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.59 2d9x s SER 115 CO -0.15 -1.49 0.00 0.61 1.20 0.00 0.00 173.24 173.42 2d9x n GLY 116 N 5.72 3.43 3.68 9.45 0.00 -1.26 -4.90 105.19 121.31 2d9x n GLY 116 Ca 0.46 -1.65 -0.29 0.00 0.00 0.00 0.00 46.02 44.54 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 -4.44 0.47 -0.02 1.61 0.04 -1.26 -4.98 135.00 126.42 2d9x s PRO 117 Ca 0.00 0.54 -0.15 0.00 0.04 0.00 0.00 61.00 61.42 2d9x s PRO 117 Cb 0.00 -1.74 0.02 0.00 0.04 0.00 0.00 34.50 32.82 2d9x s PRO 117 CO 0.00 -2.71 0.32 -1.12 0.04 0.00 0.00 177.00 173.53 2d9x s SER 118 N -3.45 -0.21 0.20 6.66 0.01 -1.26 -5.10 113.70 110.54 2d9x s SER 118 Ca 0.65 0.12 -0.14 0.00 1.31 0.00 0.00 55.95 57.89 2d9x s SER 118 Cb -0.19 0.33 0.01 0.00 0.21 0.00 0.00 66.02 66.38 2d9x s SER 118 CO 0.58 -0.45 0.45 -0.94 0.41 0.00 0.00 173.24 173.29 2d9x s SER 119 N -1.29 -0.14 0.00 2.44 1.04 -1.26 -5.30 113.70 109.19 2d9x s SER 119 Ca -0.13 -0.67 0.00 0.00 0.48 0.00 0.00 55.95 55.62 2d9x s SER 119 Cb -0.05 0.54 0.00 0.00 0.10 0.00 0.00 66.02 66.61 2d9x s SER 119 CO 0.04 -1.03 0.00 0.61 0.98 0.00 0.00 173.24 173.84