#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 3.04 -0.40 1.61 0.01 -1.26 -5.09 113.70 111.61 2d9x s SER 2 Ca 0.00 -0.60 -0.29 0.00 1.31 0.00 0.00 55.95 56.37 2d9x s SER 2 Cb 0.00 -1.41 0.01 0.00 0.21 0.00 0.00 66.02 64.83 2d9x s SER 2 CO 0.00 0.05 1.34 -0.94 0.41 0.00 0.00 173.24 174.10 2d9x s SER 3 N 0.99 6.45 -1.29 2.44 1.04 -1.26 -4.92 113.70 117.14 2d9x s SER 3 Ca -0.03 0.83 -0.17 0.00 0.48 0.00 0.00 55.95 57.06 2d9x s SER 3 Cb -0.15 -2.54 0.01 0.00 0.10 0.00 0.00 66.02 63.44 2d9x s SER 3 CO -0.05 -1.34 2.04 0.61 0.98 0.00 0.00 173.24 175.48 2d9x n GLY 4 N 4.89 3.43 0.37 7.32 0.00 -1.26 -4.79 105.19 115.15 2d9x n GLY 4 Ca 0.15 -1.45 -0.04 0.00 0.00 0.00 0.00 46.02 44.68 2d9x n GLY 4 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2d9x h SER 5 N 6.95 -1.33 -3.21 1.61 0.02 -2.07 -3.39 113.55 112.13 2d9x h SER 5 Ca 0.49 0.26 -0.57 0.00 -0.84 0.00 0.00 61.79 61.13 2d9x h SER 5 Cb 0.72 0.66 -0.04 0.00 0.14 0.00 0.00 62.40 63.89 2d9x h SER 5 CO 1.75 -0.30 -0.20 -0.55 -1.14 0.00 0.00 176.83 176.39 2d9x s SER 6 N -5.24 6.66 -0.17 3.07 0.15 -1.26 -5.09 113.70 111.83 2d9x s SER 6 Ca -0.14 0.85 -0.00 0.00 0.70 0.00 0.00 55.95 57.36 2d9x s SER 6 Cb 0.17 -2.20 0.04 0.00 -1.71 0.00 0.00 66.02 62.32 2d9x s SER 6 CO 0.69 0.10 -0.06 -0.83 1.20 0.00 0.00 173.24 174.35 2d9x s GLY 7 N -1.92 0.99 0.19 9.45 0.00 -1.26 -5.13 107.32 109.64 2d9x s GLY 7 Ca 0.37 -0.86 0.09 0.00 0.00 0.00 0.00 44.72 44.32 2d9x s GLY 7 CO 0.20 0.90 -0.08 -0.54 0.00 0.00 0.00 173.10 173.58 2d9x s GLU 8 N 1.61 2.11 0.06 2.90 0.41 -1.26 -5.09 118.70 119.44 2d9x s GLU 8 Ca 0.01 -1.29 -0.31 0.00 -0.41 0.00 0.00 54.97 52.98 2d9x s GLU 8 Cb -0.15 -2.17 -0.07 0.00 -1.78 0.00 0.00 34.13 29.96 2d9x s GLU 8 CO -0.08 0.42 1.49 0.54 -0.49 0.00 0.00 175.26 177.15 2d9x s ASN 9 N -2.97 6.75 -0.24 -0.19 2.20 -1.26 -4.95 114.94 114.28 2d9x s ASN 9 Ca 0.26 2.31 -0.11 0.00 -0.94 0.00 0.00 52.86 54.38 2d9x s ASN 9 Cb -0.08 -2.57 -0.05 0.00 -2.00 0.00 0.00 41.25 36.55 2d9x s ASN 9 CO 0.16 -0.76 0.19 -0.69 -2.94 0.00 0.00 177.10 173.06 2d9x s VAL 10 N 2.09 5.33 0.07 3.54 1.01 -1.26 -4.98 120.40 126.20 2d9x s VAL 10 Ca 0.68 0.24 -0.08 0.00 0.00 0.00 0.00 61.98 62.82 2d9x s VAL 10 Cb -0.36 -3.53 -0.00 0.00 0.00 0.00 0.00 36.38 32.48 2d9x s VAL 10 CO 0.29 0.32 0.17 -0.72 0.00 0.00 0.00 175.10 175.16 2d9x s TYR 11 N 1.21 0.16 0.00 5.22 -0.85 -1.26 -0.27 117.35 121.56 2d9x s TYR 11 Ca 0.09 -0.54 0.00 0.00 -0.52 0.00 0.00 57.07 56.09 2d9x s TYR 11 Cb -0.14 -0.09 0.00 0.00 0.38 0.00 0.00 41.96 42.11 2d9x s TYR 11 CO 0.06 -0.49 0.00 0.41 -1.52 0.00 0.00 175.55 174.01 2d9x n GLY 12 N 0.19 1.52 3.64 5.49 0.00 -0.96 -5.01 105.19 110.06 2d9x n GLY 12 Ca -0.16 -0.53 -0.43 0.00 0.00 0.00 0.00 46.02 44.90 2d9x n GLY 12 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2d9x s TYR 13 N -2.00 2.68 0.27 1.61 1.51 -1.26 -2.53 117.35 117.63 2d9x s TYR 13 Ca 0.00 0.88 0.10 0.00 -1.01 0.00 0.00 57.07 57.04 2d9x s TYR 13 Cb 0.00 -3.75 -0.05 0.00 -0.11 0.00 0.00 41.96 38.05 2d9x s TYR 13 CO 0.00 -1.88 -0.15 -0.51 -1.11 0.00 0.00 175.55 171.90 2d9x s LEU 14 N 4.09 2.60 -0.39 -1.29 1.43 0.12 -4.32 118.68 120.92 2d9x s LEU 14 Ca 0.57 -1.07 -0.13 0.00 -1.03 0.00 0.00 54.13 52.47 2d9x s LEU 14 Cb -0.20 -0.94 0.02 0.00 0.03 0.00 0.00 46.19 45.10 2d9x s LEU 14 CO 0.20 -0.09 0.25 -0.04 0.23 0.00 0.00 176.35 176.91 2d9x s MET 15 N -3.58 2.92 -0.02 1.70 -1.94 -1.21 0.38 119.30 117.54 2d9x s MET 15 Ca 0.29 -1.03 -0.11 0.00 -1.71 0.00 0.00 55.69 53.12 2d9x s MET 15 Cb -0.02 -3.85 -0.05 0.00 2.01 0.00 0.00 34.83 32.92 2d9x s MET 15 CO 0.13 -0.71 0.31 0.21 -0.01 0.00 0.00 175.02 174.95 2d9x s LYS 16 N 1.62 3.72 -0.50 2.03 2.20 -1.07 -3.16 119.74 124.58 2d9x s LYS 16 Ca 0.04 0.17 -0.28 0.00 -0.36 0.00 0.00 55.97 55.53 2d9x s LYS 16 Cb -0.19 -3.17 0.03 0.00 -1.51 0.00 0.00 37.83 32.99 2d9x s LYS 16 CO 0.08 0.70 1.10 -0.47 -0.36 0.00 0.00 175.35 176.40 2d9x s TYR 17 N -1.13 2.79 -0.06 4.03 6.14 -1.18 -2.57 117.35 125.38 2d9x s TYR 17 Ca 0.23 0.56 -0.05 0.00 0.64 0.00 0.00 57.07 58.45 2d9x s TYR 17 Cb -0.15 -4.36 -0.28 0.00 0.42 0.00 0.00 41.96 37.60 2d9x s TYR 17 CO 0.11 -1.31 0.60 0.00 0.64 0.00 0.00 175.55 175.60 2d9x h THR 18 N 6.19 0.86 -2.00 4.34 1.03 -1.87 -3.48 112.91 117.98 2d9x h THR 18 Ca -0.24 -2.54 0.16 0.00 -0.01 0.00 0.00 66.41 63.79 2d9x h THR 18 Cb 1.06 2.63 -0.03 0.00 -1.07 0.00 0.00 68.15 70.75 2d9x h THR 18 CO 1.12 0.83 0.47 -3.20 -0.01 0.00 0.00 175.52 174.73 2d9x n ASN 19 N -3.46 -0.93 0.02 0.00 2.85 -1.25 -4.99 115.26 107.50 2d9x n ASN 19 Ca -0.25 -1.37 -0.06 0.00 -0.11 0.00 0.00 54.58 52.80 2d9x n ASN 19 Cb 1.06 1.49 -0.04 0.00 1.24 0.00 0.00 39.78 43.53 2d9x n ASN 19 CO 0.00 0.00 0.00 -0.07 -2.11 0.00 0.00 177.26 175.08 2d9x h LEU 20 N 0.00 -0.14 -0.17 1.20 4.07 -1.97 0.78 115.31 119.09 2d9x h LEU 20 Ca -0.15 -0.18 0.05 0.00 0.08 0.00 0.00 57.88 57.68 2d9x h LEU 20 Cb 0.75 0.04 -0.07 0.00 1.08 0.00 0.00 40.66 42.46 2d9x h LEU 20 CO 0.21 0.41 -0.38 1.62 -1.08 0.00 0.00 178.44 179.23 2d9x h VAL 21 N -1.01 0.20 -0.26 1.22 3.04 -2.04 -2.57 116.25 114.82 2d9x h VAL 21 Ca -0.02 0.00 -0.09 0.00 -1.01 0.00 0.00 66.70 65.58 2d9x h VAL 21 Cb 0.31 0.20 -0.01 0.00 -2.01 0.00 0.00 31.29 29.78 2d9x h VAL 21 CO 0.03 0.00 -0.20 0.74 -1.01 0.00 0.00 177.57 177.13 2d9x h THR 22 N -0.43 1.31 0.00 3.17 2.02 -1.97 -3.48 112.91 113.53 2d9x h THR 22 Ca 0.09 -1.34 0.00 0.00 0.77 0.00 0.00 66.41 65.94 2d9x h THR 22 Cb 0.59 1.60 0.00 0.00 -1.74 0.00 0.00 68.15 68.60 2d9x h THR 22 CO -0.40 0.42 0.00 0.61 0.37 0.00 0.00 175.52 176.52 2d9x n GLY 23 N 0.09 1.56 3.92 2.16 0.00 0.27 -4.85 105.19 108.34 2d9x n GLY 23 Ca -0.04 -0.64 -0.27 0.00 0.00 0.00 0.00 46.02 45.07 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 3.48 -0.20 1.61 0.52 -1.26 -2.58 118.94 120.51 2d9x s TRP 24 Ca 0.00 0.41 -0.05 0.00 0.02 0.00 0.00 56.10 56.48 2d9x s TRP 24 Cb 0.00 -1.92 0.10 0.00 -1.15 0.00 0.00 33.47 30.50 2d9x s TRP 24 CO 0.00 0.30 0.36 -0.65 0.02 0.00 0.00 176.95 176.98 2d9x s GLN 25 N -3.51 0.29 0.25 4.98 -0.21 -1.06 -4.95 119.66 115.44 2d9x s GLN 25 Ca 0.40 0.75 -0.31 0.00 0.02 0.00 0.00 55.36 56.22 2d9x s GLN 25 Cb -0.11 -0.12 -0.13 0.00 1.00 0.00 0.00 33.01 33.65 2d9x s GLN 25 CO 0.30 -0.42 1.39 0.66 -2.12 0.00 0.00 175.29 175.10 2d9x n TYR 26 N 5.37 2.14 -3.91 0.91 4.01 -1.26 -2.59 117.16 121.82 2d9x n TYR 26 Ca -0.06 0.45 -0.09 0.00 -0.16 0.00 0.00 57.90 58.04 2d9x n TYR 26 Cb 0.50 -2.45 -0.05 0.00 -0.31 0.00 0.00 39.34 37.02 2d9x n TYR 26 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 2d9x s ARG 27 N -0.53 1.37 -0.06 -0.72 0.52 0.16 -4.93 118.95 114.77 2d9x s ARG 27 Ca 0.67 -1.11 -0.08 0.00 -0.52 0.00 0.00 55.73 54.69 2d9x s ARG 27 Cb -0.65 0.46 -0.04 0.00 0.52 0.00 0.00 34.95 35.23 2d9x s ARG 27 CO 0.51 -0.56 0.22 0.12 0.02 0.00 0.00 175.30 175.61 2d9x s PHE 28 N -3.96 3.61 0.04 -0.53 5.36 -0.92 0.12 117.98 121.70 2d9x s PHE 28 Ca 0.17 0.60 0.04 0.00 -0.96 0.00 0.00 56.93 56.78 2d9x s PHE 28 Cb 0.00 -2.00 -0.02 0.00 -0.34 0.00 0.00 43.02 40.66 2d9x s PHE 28 CO 0.03 0.68 -0.11 -0.06 -1.46 0.00 0.00 175.22 174.30 2d9x s PHE 29 N -1.14 0.94 -0.10 10.12 0.40 -1.05 -1.44 117.98 125.71 2d9x s PHE 29 Ca 0.21 -0.40 -0.03 0.00 -0.60 0.00 0.00 56.93 56.10 2d9x s PHE 29 Cb -0.13 -0.55 0.05 0.00 0.51 0.00 0.00 43.02 42.89 2d9x s PHE 29 CO 0.10 -0.01 0.09 0.08 0.70 0.00 0.00 175.22 176.19 2d9x s VAL 30 N -1.07 -0.13 0.33 -0.44 1.01 -1.14 -2.26 120.40 116.70 2d9x s VAL 30 Ca -0.03 0.18 -0.23 0.00 0.00 0.00 0.00 61.98 61.89 2d9x s VAL 30 Cb -0.09 -0.35 -0.10 0.00 0.00 0.00 0.00 36.38 35.85 2d9x s VAL 30 CO 0.01 -0.01 0.89 -0.22 0.00 0.00 0.00 175.10 175.77 2d9x s LEU 31 N 2.18 4.23 -0.36 3.92 2.96 0.63 -3.26 118.68 128.98 2d9x s LEU 31 Ca 0.04 1.70 0.02 0.00 -0.22 0.00 0.00 54.13 55.67 2d9x s LEU 31 Cb -0.14 -4.06 0.10 0.00 0.50 0.00 0.00 46.19 42.59 2d9x s LEU 31 CO -0.06 -0.12 0.09 0.21 -1.32 0.00 0.00 176.35 175.15 2d9x s ASN 32 N -1.79 4.88 0.22 3.68 3.84 -1.09 -4.28 114.94 120.39 2d9x s ASN 32 Ca 0.52 -2.15 0.01 0.00 0.21 0.00 0.00 52.86 51.45 2d9x s ASN 32 Cb -0.16 -1.68 0.20 0.00 -0.55 0.00 0.00 41.25 39.07 2d9x s ASN 32 CO 0.20 -0.42 1.54 -0.55 -2.79 0.00 0.00 177.10 175.09 2d9x h ASN 33 N 7.69 0.43 0.72 -4.21 -1.07 -1.92 1.00 115.58 118.21 2d9x h ASN 33 Ca -0.06 -0.23 -0.04 0.00 0.07 0.00 0.00 56.30 56.04 2d9x h ASN 33 Cb 1.02 -0.12 0.01 0.00 -2.07 0.00 0.00 38.32 37.16 2d9x h ASN 33 CO 0.57 0.91 -0.34 -0.08 0.07 0.00 0.00 177.43 178.55 2d9x h GLU 34 N 0.29 -0.93 0.12 4.14 4.81 -1.98 -3.34 114.58 117.69 2d9x h GLU 34 Ca 0.00 0.06 -0.17 0.00 -0.13 0.00 0.00 59.36 59.12 2d9x h GLU 34 Cb 1.08 0.21 0.02 0.00 0.63 0.00 0.00 28.75 30.69 2d9x h GLU 34 CO 0.10 -0.60 -0.76 0.00 -0.73 0.00 0.00 179.01 177.02 2d9x h ALA 35 N -1.10 -0.07 0.00 2.92 0.00 -1.99 -3.48 119.26 115.54 2d9x h ALA 35 Ca -0.10 -0.67 0.00 0.00 0.00 0.00 0.00 54.91 54.14 2d9x h ALA 35 Cb 0.76 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.64 2d9x h ALA 35 CO 0.16 0.36 0.00 0.41 0.00 0.00 0.00 179.25 180.18 2d9x n GLY 36 N 1.60 1.62 3.31 0.00 0.00 0.34 -5.06 105.19 107.00 2d9x n GLY 36 Ca -0.13 -0.15 -0.32 0.00 0.00 0.00 0.00 46.02 45.42 2d9x n GLY 36 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2d9x s LEU 37 N 0.00 2.17 -0.40 0.99 1.43 -1.17 -3.52 118.68 118.17 2d9x s LEU 37 Ca 0.00 -0.45 -0.15 0.00 -1.03 0.00 0.00 54.13 52.50 2d9x s LEU 37 Cb 0.00 -1.39 0.01 0.00 0.03 0.00 0.00 46.19 44.84 2d9x s LEU 37 CO 0.00 0.28 0.32 -0.22 0.23 0.00 0.00 176.35 176.97 2d9x s LEU 38 N -0.37 4.94 0.47 1.79 2.96 -0.60 -2.69 118.68 125.18 2d9x s LEU 38 Ca 0.03 -0.75 0.07 0.00 -0.22 0.00 0.00 54.13 53.26 2d9x s LEU 38 Cb -0.12 -2.21 0.00 0.00 0.50 0.00 0.00 46.19 44.36 2d9x s LEU 38 CO 0.02 -0.44 0.39 -1.61 -1.32 0.00 0.00 176.35 173.39 2d9x s GLU 39 N 1.80 2.40 -0.24 1.98 2.02 -1.20 -1.26 118.70 124.19 2d9x s GLU 39 Ca 0.07 -1.73 -0.25 0.00 0.02 0.00 0.00 54.97 53.08 2d9x s GLU 39 Cb -0.18 -2.26 0.07 0.00 0.10 0.00 0.00 34.13 31.85 2d9x s GLU 39 CO 0.11 -0.36 0.69 1.52 0.02 0.00 0.00 175.26 177.24 2d9x s TYR 40 N -2.59 -0.75 0.10 1.61 -0.85 -1.21 -2.88 117.35 110.77 2d9x s TYR 40 Ca 0.44 1.80 0.08 0.00 -0.52 0.00 0.00 57.07 58.87 2d9x s TYR 40 Cb -0.02 0.27 -0.03 0.00 0.38 0.00 0.00 41.96 42.56 2d9x s TYR 40 CO 0.26 -0.39 -0.20 -0.06 -1.52 0.00 0.00 175.55 173.64 2d9x s PHE 41 N 0.23 1.71 0.37 -3.49 0.40 -0.52 -2.80 117.98 113.88 2d9x s PHE 41 Ca -0.01 -0.43 0.20 0.00 -0.60 0.00 0.00 56.93 56.09 2d9x s PHE 41 Cb -0.04 -0.93 1.31 0.00 0.51 0.00 0.00 43.02 43.86 2d9x s PHE 41 CO 0.02 0.20 1.59 0.28 0.70 0.00 0.00 175.22 178.00 2d9x h VAL 42 N 4.02 0.02 -2.93 -0.44 2.07 -1.89 -2.44 116.25 114.67 2d9x h VAL 42 Ca -0.45 -0.01 -0.06 0.00 0.82 0.00 0.00 66.70 67.00 2d9x h VAL 42 Cb 1.18 -0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.95 2d9x h VAL 42 CO 0.41 0.00 0.14 0.59 0.02 0.00 0.00 177.57 178.74 2d9x n ASN 43 N -5.25 -1.62 0.08 0.57 5.03 -1.26 -4.08 115.26 108.72 2d9x n ASN 43 Ca 0.37 -2.28 -0.04 0.00 0.87 0.00 0.00 54.58 53.50 2d9x n ASN 43 Cb 1.25 2.75 0.16 0.00 -1.02 0.00 0.00 39.78 42.91 2d9x n ASN 43 CO 0.00 0.00 0.00 -0.08 -1.83 0.00 0.00 177.26 175.35 2d9x h GLU 44 N 0.00 0.28 0.00 3.52 4.81 -1.93 -2.66 114.58 118.60 2d9x h GLU 44 Ca -0.25 -0.16 0.00 0.00 -0.13 0.00 0.00 59.36 58.82 2d9x h GLU 44 Cb 0.95 0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.34 2d9x h GLU 44 CO 0.32 0.73 0.00 1.04 -0.73 0.00 0.00 179.01 180.37 2d9x n GLN 45 N -3.95 0.03 -2.28 1.92 6.02 -1.26 -2.48 117.38 115.38 2d9x n GLN 45 Ca -0.02 0.34 -0.33 0.00 -0.01 0.00 0.00 57.00 56.98 2d9x n GLN 45 Cb 0.55 -1.50 0.02 0.00 1.02 0.00 0.00 30.24 30.33 2d9x n GLN 45 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 2d9x n SER 46 N -1.40 5.96 -0.06 1.08 2.88 -1.00 -4.76 113.62 116.32 2d9x n SER 46 Ca 0.01 -3.77 -0.02 0.00 -1.33 0.00 0.00 58.87 53.76 2d9x n SER 46 Cb 0.04 -0.74 -0.02 0.00 -0.75 0.00 0.00 64.21 62.74 2d9x n SER 46 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 2d9x h ARG 47 N 2.83 0.00 0.00 -1.46 3.08 -1.70 -3.36 114.38 113.78 2d9x h ARG 47 Ca 0.41 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 60.38 2d9x h ARG 47 Cb 0.51 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.55 2d9x h ARG 47 CO 1.10 0.11 -0.39 -0.97 -1.07 0.00 0.00 179.97 178.75 2d9x h ASN 48 N -1.00 0.00 -4.27 7.04 -1.24 -1.88 -3.45 115.58 110.77 2d9x h ASN 48 Ca -0.01 0.00 -0.52 0.00 0.71 0.00 0.00 56.30 56.48 2d9x h ASN 48 Cb 0.19 0.00 0.18 0.00 0.73 0.00 0.00 38.32 39.42 2d9x h ASN 48 CO -0.00 0.39 0.25 -1.10 -1.29 0.00 0.00 177.43 175.68 2d9x s GLN 49 N -3.85 1.28 0.30 6.67 1.11 -1.26 -4.93 119.66 118.99 2d9x s GLN 49 Ca -0.01 1.50 -0.29 0.00 0.01 0.00 0.00 55.36 56.56 2d9x s GLN 49 Cb 0.13 -1.76 -0.11 0.00 -1.01 0.00 0.00 33.01 30.26 2d9x s GLN 49 CO 0.70 -2.43 1.47 0.21 0.01 0.00 0.00 175.29 175.25 2d9x s LYS 50 N -4.66 4.21 0.66 2.91 2.47 -1.26 -4.98 119.74 119.09 2d9x s LYS 50 Ca 0.66 2.42 -0.15 0.00 -1.56 0.00 0.00 55.97 57.34 2d9x s LYS 50 Cb -0.22 -3.05 0.00 0.00 -1.46 0.00 0.00 37.83 33.10 2d9x s LYS 50 CO 0.57 -0.46 1.11 -1.25 0.16 0.00 0.00 175.35 175.48 2d9x s PRO 51 N -1.03 2.80 0.06 4.03 0.04 -1.26 -4.98 135.00 134.65 2d9x s PRO 51 Ca 0.57 1.39 -0.06 0.00 0.04 0.00 0.00 61.00 62.94 2d9x s PRO 51 Cb -0.44 -1.95 -0.29 0.00 0.04 0.00 0.00 34.50 31.86 2d9x s PRO 51 CO 0.51 -1.25 1.08 0.00 0.04 0.00 0.00 177.00 177.37 2d9x h ARG 52 N 0.02 0.31 -2.39 4.56 2.47 -1.90 -3.48 114.38 113.96 2d9x h ARG 52 Ca -0.47 -0.52 0.05 0.00 -1.26 0.00 0.00 59.98 57.78 2d9x h ARG 52 Cb 1.25 0.20 -0.15 0.00 -1.65 0.00 0.00 29.97 29.61 2d9x h ARG 52 CO 0.54 1.24 0.38 0.20 0.56 0.00 0.00 179.97 182.89 2d9x s GLY 53 N -4.69 -0.50 0.01 0.04 0.00 -1.26 -5.08 107.32 95.84 2d9x s GLY 53 Ca -0.05 0.99 0.03 0.00 0.00 0.00 0.00 44.72 45.69 2d9x s GLY 53 CO 0.89 0.42 -0.08 -0.51 0.00 0.00 0.00 173.10 173.82 2d9x s THR 54 N -2.89 0.63 -0.06 0.90 -4.23 -1.26 -3.36 115.64 105.37 2d9x s THR 54 Ca 0.01 -0.56 0.03 0.00 -1.18 0.00 0.00 61.69 59.99 2d9x s THR 54 Cb -0.01 -0.58 0.01 0.00 1.34 0.00 0.00 72.50 73.26 2d9x s THR 54 CO -0.07 0.02 -0.15 -0.22 -0.54 0.00 0.00 174.62 173.66 2d9x s LEU 55 N -0.60 1.79 0.12 4.79 2.96 -0.39 -4.98 118.68 122.37 2d9x s LEU 55 Ca -0.00 -0.34 -0.30 0.00 -0.22 0.00 0.00 54.13 53.27 2d9x s LEU 55 Cb -0.05 -0.92 -0.06 0.00 0.50 0.00 0.00 46.19 45.65 2d9x s LEU 55 CO 0.00 0.09 1.06 -1.10 -1.32 0.00 0.00 176.35 175.07 2d9x s GLN 56 N 0.42 4.60 -0.20 1.98 -0.21 -1.26 -1.56 119.66 123.43 2d9x s GLN 56 Ca -0.11 1.61 0.07 0.00 0.02 0.00 0.00 55.36 56.94 2d9x s GLN 56 Cb -0.14 -3.34 -0.21 0.00 1.00 0.00 0.00 33.01 30.31 2d9x s GLN 56 CO 0.04 0.06 0.05 1.28 -2.12 0.00 0.00 175.29 174.59 2d9x n LEU 57 N 2.89 1.80 -4.47 2.90 4.77 -1.23 -4.70 117.00 118.96 2d9x n LEU 57 Ca 0.04 0.02 -0.44 0.00 -0.03 0.00 0.00 56.01 55.59 2d9x n LEU 57 Cb 0.48 -0.40 -0.11 0.00 -2.33 0.00 0.00 43.42 41.06 2d9x n LEU 57 CO 0.53 0.74 2.06 0.00 -1.33 0.00 0.00 177.39 179.38 2d9x n ALA 58 N -2.99 0.50 -0.65 -1.18 0.00 -1.26 0.12 120.51 115.06 2d9x n ALA 58 Ca -0.37 -0.32 0.00 0.00 0.00 0.00 0.00 53.44 52.75 2d9x n ALA 58 Cb 1.06 -2.48 0.00 0.00 0.00 0.00 0.00 19.45 18.02 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 6.54 1.05 4.00 0.00 0.00 -1.14 -4.63 105.19 111.00 2d9x n GLY 59 Ca 0.55 -0.41 -0.17 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 -2.00 4.47 -0.03 4.61 0.00 0.33 -2.47 121.76 126.68 2d9x s ALA 60 Ca 0.00 -1.68 0.02 0.00 0.00 0.00 0.00 51.96 50.30 2d9x s ALA 60 Cb 0.00 -1.57 0.01 0.00 0.00 0.00 0.00 23.12 21.56 2d9x s ALA 60 CO 0.00 -0.26 -0.07 0.08 0.00 0.00 0.00 175.76 175.51 2d9x s VAL 61 N -2.35 0.65 -0.23 0.00 1.01 -1.26 -4.86 120.40 113.36 2d9x s VAL 61 Ca 0.54 -0.26 -0.10 0.00 0.00 0.00 0.00 61.98 62.16 2d9x s VAL 61 Cb -0.09 -0.60 -0.05 0.00 0.00 0.00 0.00 36.38 35.64 2d9x s VAL 61 CO 0.32 0.22 0.14 -0.63 0.00 0.00 0.00 175.10 175.15 2d9x s ILE 62 N 0.39 5.20 -0.44 2.22 1.09 -1.26 -0.76 121.20 127.64 2d9x s ILE 62 Ca -0.06 0.12 0.03 0.00 -1.10 0.00 0.00 60.65 59.65 2d9x s ILE 62 Cb -0.10 -3.42 0.12 0.00 -1.06 0.00 0.00 42.46 38.01 2d9x s ILE 62 CO 0.00 0.36 0.21 -0.55 -0.10 0.00 0.00 174.94 174.86 2d9x s SER 63 N 0.99 4.08 -0.22 3.58 0.15 -0.78 -4.99 113.70 116.52 2d9x s SER 63 Ca 0.07 -2.60 -0.29 0.00 0.70 0.00 0.00 55.95 53.83 2d9x s SER 63 Cb -0.13 -1.32 -0.03 0.00 -1.71 0.00 0.00 66.02 62.83 2d9x s SER 63 CO 0.04 -0.28 1.61 -2.16 1.20 0.00 0.00 173.24 173.64 2d9x s PRO 64 N 0.32 3.80 1.00 5.44 0.04 -1.26 -2.65 135.00 141.71 2d9x s PRO 64 Ca 0.16 1.66 -0.12 0.00 0.04 0.00 0.00 61.00 62.74 2d9x s PRO 64 Cb -0.24 -4.03 0.19 0.00 0.04 0.00 0.00 34.50 30.47 2d9x s PRO 64 CO -0.03 -1.28 1.08 -1.12 0.04 0.00 0.00 177.00 175.68 2d9x s SER 65 N 4.18 2.51 0.00 6.66 0.01 -1.18 -4.96 113.70 120.93 2d9x s SER 65 Ca 0.71 1.37 0.02 0.00 1.31 0.00 0.00 55.95 59.36 2d9x s SER 65 Cb -0.25 -2.05 -0.01 0.00 0.21 0.00 0.00 66.02 63.92 2d9x s SER 65 CO 0.29 -3.23 0.16 -0.67 0.41 0.00 0.00 173.24 170.21 2d9x n ASP 66 N -4.26 0.28 0.01 2.44 -0.08 -1.26 -4.75 116.55 108.93 2d9x n ASP 66 Ca 0.05 -0.64 -0.08 0.00 -1.51 0.00 0.00 54.79 52.61 2d9x n ASP 66 Cb 0.56 0.83 -0.05 0.00 2.34 0.00 0.00 41.12 44.80 2d9x n ASP 66 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 2d9x h GLU 67 N 0.07 -0.32 -6.20 -0.67 5.08 -1.96 -3.43 114.58 107.16 2d9x h GLU 67 Ca 0.00 0.02 -0.52 0.00 -1.00 0.00 0.00 59.36 57.86 2d9x h GLU 67 Cb 0.05 0.07 -0.06 0.00 0.50 0.00 0.00 28.75 29.31 2d9x h GLU 67 CO 0.00 -0.21 -0.56 -0.51 -1.00 0.00 0.00 179.01 176.72 2d9x s ASP 68 N -3.77 5.15 0.13 1.42 1.01 -1.26 -5.04 116.67 114.31 2d9x s ASP 68 Ca -0.08 -0.41 -0.27 0.00 0.71 0.00 0.00 52.55 52.49 2d9x s ASP 68 Cb 0.04 -1.17 -0.05 0.00 1.01 0.00 0.00 42.92 42.75 2d9x s ASP 68 CO 0.33 -0.05 1.61 0.28 0.21 0.00 0.00 175.17 177.55 2d9x h SER 69 N 1.62 -0.99 -3.42 0.27 0.02 -1.94 -3.35 113.55 105.75 2d9x h SER 69 Ca -0.47 0.13 -0.72 0.00 -0.84 0.00 0.00 61.79 59.89 2d9x h SER 69 Cb 1.24 0.40 -0.26 0.00 0.14 0.00 0.00 62.40 63.93 2d9x h SER 69 CO 0.61 -0.38 -0.43 -1.00 -1.14 0.00 0.00 176.83 174.48 2d9x s HIS 70 N -5.99 3.31 -0.26 3.45 3.76 -1.26 -4.82 115.29 113.48 2d9x s HIS 70 Ca -0.15 -1.33 -0.26 0.00 -0.15 0.00 0.00 55.06 53.17 2d9x s HIS 70 Cb 0.09 -2.99 0.11 0.00 1.11 0.00 0.00 32.58 30.91 2d9x s HIS 70 CO 0.65 -0.82 0.98 0.99 -0.85 0.00 0.00 174.74 175.69 2d9x s THR 71 N 1.49 0.00 -0.06 1.30 2.01 -1.26 -4.44 115.64 114.68 2d9x s THR 71 Ca 0.03 0.00 -0.29 0.00 0.31 0.00 0.00 61.69 61.74 2d9x s THR 71 Cb -0.23 -1.00 0.11 0.00 0.01 0.00 0.00 72.50 71.39 2d9x s THR 71 CO 0.04 0.00 0.90 0.72 -0.69 0.00 0.00 174.62 175.58 2d9x s PHE 72 N 0.05 -0.39 0.01 4.92 -0.12 -1.19 -3.09 117.98 118.17 2d9x s PHE 72 Ca 0.02 0.47 0.06 0.00 -0.05 0.00 0.00 56.93 57.43 2d9x s PHE 72 Cb -0.04 0.49 -0.02 0.00 -0.63 0.00 0.00 43.02 42.82 2d9x s PHE 72 CO -0.04 -0.49 -0.19 0.95 -0.05 0.00 0.00 175.22 175.41 2d9x s THR 73 N -2.20 1.51 -0.39 -4.49 -4.23 -1.08 -2.84 115.64 101.92 2d9x s THR 73 Ca 0.01 -0.95 -0.02 0.00 -1.18 0.00 0.00 61.69 59.55 2d9x s THR 73 Cb -0.01 -1.28 0.10 0.00 1.34 0.00 0.00 72.50 72.65 2d9x s THR 73 CO -0.03 0.32 0.18 -0.69 -0.54 0.00 0.00 174.62 173.85 2d9x s VAL 74 N -0.59 3.17 0.82 2.29 1.01 -0.40 -1.86 120.40 124.84 2d9x s VAL 74 Ca 0.07 -2.04 -0.14 0.00 0.00 0.00 0.00 61.98 59.87 2d9x s VAL 74 Cb -0.08 -3.16 0.20 0.00 0.00 0.00 0.00 36.38 33.34 2d9x s VAL 74 CO 0.00 -0.64 0.81 0.59 0.00 0.00 0.00 175.10 175.86 2d9x n ASN 75 N 4.56 -1.31 -3.71 3.32 3.02 0.06 -0.96 115.26 120.24 2d9x n ASN 75 Ca -0.02 -1.06 -0.13 0.00 -0.03 0.00 0.00 54.58 53.34 2d9x n ASN 75 Cb 0.42 -0.71 -0.10 0.00 -0.61 0.00 0.00 39.78 38.78 2d9x n ASN 75 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2d9x s ALA 76 N -3.26 -1.16 0.32 5.41 0.00 -1.03 -4.01 121.76 118.03 2d9x s ALA 76 Ca 0.51 1.37 0.11 0.00 0.00 0.00 0.00 51.96 53.94 2d9x s ALA 76 Cb -0.04 -0.80 0.93 0.00 0.00 0.00 0.00 23.12 23.21 2d9x s ALA 76 CO 0.38 -0.23 1.71 0.00 0.00 0.00 0.00 175.76 177.62 2d9x h ALA 77 N 5.64 1.81 0.63 0.00 0.00 -1.74 -1.24 119.26 124.36 2d9x h ALA 77 Ca -0.28 0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 2d9x h ALA 77 Cb 1.18 0.07 0.01 0.00 0.00 0.00 0.00 17.79 19.05 2d9x h ALA 77 CO 0.22 -0.37 -0.30 0.66 0.00 0.00 0.00 179.25 179.46 2d9x h SER 78 N 0.49 -0.72 0.00 0.00 4.64 -1.93 -3.47 113.55 112.55 2d9x h SER 78 Ca 0.67 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.99 2d9x h SER 78 Cb 1.35 0.19 0.00 0.00 -0.31 0.00 0.00 62.40 63.62 2d9x h SER 78 CO -0.52 -0.46 0.00 0.61 -0.87 0.00 0.00 176.83 175.58 2d9x n GLY 79 N -1.24 0.00 2.78 -0.77 0.00 -0.47 -5.15 105.19 100.33 2d9x n GLY 79 Ca -0.13 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.66 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 0.65 0.01 1.61 2.12 -1.25 -4.96 118.70 116.87 2d9x s GLU 80 Ca 0.00 0.09 -0.01 0.00 0.36 0.00 0.00 54.97 55.40 2d9x s GLU 80 Cb 0.00 -1.02 -0.04 0.00 0.26 0.00 0.00 34.13 33.33 2d9x s GLU 80 CO 0.00 -0.31 0.15 -1.14 -0.54 0.00 0.00 175.26 173.42 2d9x s GLN 81 N 1.96 3.29 -0.08 4.30 0.74 -1.26 -2.48 119.66 126.13 2d9x s GLN 81 Ca 0.05 -0.42 0.03 0.00 0.05 0.00 0.00 55.36 55.07 2d9x s GLN 81 Cb -0.12 -2.99 -0.02 0.00 1.10 0.00 0.00 33.01 30.98 2d9x s GLN 81 CO -0.05 0.65 -0.16 0.71 -0.55 0.00 0.00 175.29 175.88 2d9x s TYR 82 N -1.33 2.68 -0.39 1.67 1.51 -0.13 -4.91 117.35 116.44 2d9x s TYR 82 Ca 0.28 -0.43 -0.09 0.00 -1.01 0.00 0.00 57.07 55.82 2d9x s TYR 82 Cb -0.12 -1.69 0.06 0.00 -0.11 0.00 0.00 41.96 40.10 2d9x s TYR 82 CO 0.19 -0.02 0.22 0.21 -1.11 0.00 0.00 175.55 175.04 2d9x s LYS 83 N -0.28 2.63 0.33 -0.62 2.20 -1.26 -1.28 119.74 121.47 2d9x s LYS 83 Ca 0.01 -1.34 0.05 0.00 -0.36 0.00 0.00 55.97 54.33 2d9x s LYS 83 Cb -0.13 -3.70 -0.07 0.00 -1.51 0.00 0.00 37.83 32.42 2d9x s LYS 83 CO 0.03 -0.85 0.01 -0.51 -0.36 0.00 0.00 175.35 173.67 2d9x s LEU 84 N 1.44 2.42 -0.09 5.43 1.43 -1.13 -3.08 118.68 125.10 2d9x s LEU 84 Ca 0.02 -1.32 -0.03 0.00 -1.03 0.00 0.00 54.13 51.77 2d9x s LEU 84 Cb -0.22 -0.57 0.04 0.00 0.03 0.00 0.00 46.19 45.47 2d9x s LEU 84 CO 0.03 -0.50 0.06 -0.60 0.23 0.00 0.00 176.35 175.58 2d9x s ARG 85 N -3.80 0.05 0.95 1.70 3.52 -1.19 -3.17 118.95 117.02 2d9x s ARG 85 Ca 0.34 0.19 -0.10 0.00 -0.13 0.00 0.00 55.73 56.02 2d9x s ARG 85 Cb 0.08 -1.01 0.17 0.00 -1.56 0.00 0.00 34.95 32.62 2d9x s ARG 85 CO 0.15 -0.44 1.13 0.00 -0.81 0.00 0.00 175.30 175.33 2d9x s ALA 86 N 2.13 1.18 0.20 6.12 0.00 -1.26 -3.35 121.76 126.77 2d9x s ALA 86 Ca 0.04 0.52 -0.09 0.00 0.00 0.00 0.00 51.96 52.43 2d9x s ALA 86 Cb -0.13 -3.44 0.12 0.00 0.00 0.00 0.00 23.12 19.68 2d9x s ALA 86 CO -0.05 -2.96 1.74 0.00 0.00 0.00 0.00 175.76 174.49 2d9x h THR 87 N -2.01 1.26 -3.41 0.00 1.03 -1.91 -3.47 112.91 104.40 2d9x h THR 87 Ca -0.45 -0.90 -0.22 0.00 -0.01 0.00 0.00 66.41 64.83 2d9x h THR 87 Cb 1.28 0.47 -0.05 0.00 -1.07 0.00 0.00 68.15 68.77 2d9x h THR 87 CO 0.42 0.35 -0.16 0.47 -0.01 0.00 0.00 175.52 176.59 2d9x n ASP 88 N -4.27 -0.67 0.23 0.00 8.00 -1.26 -5.02 116.55 113.55 2d9x n ASP 88 Ca 0.06 -2.22 0.12 0.00 0.71 0.00 0.00 54.79 53.46 2d9x n ASP 88 Cb 0.23 1.34 0.39 0.00 -0.02 0.00 0.00 41.12 43.05 2d9x n ASP 88 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2d9x h ALA 89 N 1.74 0.96 0.15 2.24 0.00 -1.90 -2.72 119.26 119.73 2d9x h ALA 89 Ca -0.16 -0.12 -0.31 0.00 0.00 0.00 0.00 54.91 54.32 2d9x h ALA 89 Cb 0.72 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.49 2d9x h ALA 89 CO 0.22 0.17 -1.49 -0.22 0.00 0.00 0.00 179.25 177.92 2d9x h LYS 90 N 0.00 0.32 0.00 0.00 3.11 -1.96 -3.30 116.57 114.74 2d9x h LYS 90 Ca -0.00 -0.55 -0.04 0.00 -2.81 0.00 0.00 60.65 57.26 2d9x h LYS 90 Cb 0.83 0.20 -0.01 0.00 -1.00 0.00 0.00 32.23 32.26 2d9x h LYS 90 CO 0.02 1.22 -0.17 1.49 -2.81 0.00 0.00 179.45 179.19 2d9x h GLU 91 N 0.09 0.00 -0.38 1.90 4.57 -1.95 -3.19 114.58 115.62 2d9x h GLU 91 Ca -0.23 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.95 2d9x h GLU 91 Cb 2.04 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 30.61 2d9x h GLU 91 CO 0.19 0.17 0.24 -0.09 -1.18 0.00 0.00 179.01 178.34 2d9x h ARG 92 N 0.00 0.51 0.00 1.92 1.12 -1.56 -1.95 114.38 114.42 2d9x h ARG 92 Ca -0.00 -0.04 -0.05 0.00 -1.11 0.00 0.00 59.98 58.78 2d9x h ARG 92 Cb 0.82 -0.11 -0.01 0.00 -0.01 0.00 0.00 29.97 30.66 2d9x h ARG 92 CO 0.02 0.36 -0.24 1.96 -3.11 0.00 0.00 179.97 178.96 2d9x h GLN 93 N 0.51 0.00 0.38 0.20 4.20 -1.69 -2.10 115.11 116.61 2d9x h GLN 93 Ca 0.14 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.83 2d9x h GLN 93 Cb -0.03 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.75 2d9x h GLN 93 CO -0.03 0.24 -0.18 1.25 -0.67 0.00 0.00 178.83 179.44 2d9x h HIS 94 N 0.00 -0.47 0.96 2.96 2.76 -1.43 -2.05 115.15 117.87 2d9x h HIS 94 Ca -0.00 -0.01 -0.05 0.00 -2.20 0.00 0.00 60.37 58.11 2d9x h HIS 94 Cb 0.48 0.16 0.01 0.00 1.55 0.00 0.00 27.41 29.61 2d9x h HIS 94 CO 0.00 -0.15 -0.46 -1.49 -1.30 0.00 0.00 177.93 174.53 2d9x h TRP 95 N -0.84 -1.20 -0.68 5.26 4.06 -1.34 0.91 115.95 122.13 2d9x h TRP 95 Ca -0.05 -0.03 0.10 0.00 2.06 0.00 0.00 58.89 60.97 2d9x h TRP 95 Cb 0.54 0.40 -0.12 0.00 -1.00 0.00 0.00 29.16 28.97 2d9x h TRP 95 CO 0.02 -0.74 -0.41 0.28 -3.56 0.00 0.00 178.44 174.02 2d9x h VAL 96 N -1.34 0.09 0.63 1.49 2.07 -1.50 0.18 116.25 117.88 2d9x h VAL 96 Ca -0.13 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.36 2d9x h VAL 96 Cb 0.99 0.09 0.01 0.00 -1.52 0.00 0.00 31.29 30.85 2d9x h VAL 96 CO 0.22 0.00 -0.30 -1.28 0.02 0.00 0.00 177.57 176.22 2d9x h SER 97 N -0.16 -0.72 -0.94 0.57 0.87 -1.35 0.11 113.55 111.94 2d9x h SER 97 Ca 0.22 0.02 0.10 0.00 -1.23 0.00 0.00 61.79 60.91 2d9x h SER 97 Cb 0.56 0.19 -0.12 0.00 -0.44 0.00 0.00 62.40 62.58 2d9x h SER 97 CO -0.75 -0.51 -0.54 0.03 -0.53 0.00 0.00 176.83 174.53 2d9x h ARG 98 N -0.86 -0.04 0.51 2.24 2.47 -0.39 -0.90 114.38 117.41 2d9x h ARG 98 Ca -0.09 0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 58.62 2d9x h ARG 98 Cb 0.65 0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 28.97 2d9x h ARG 98 CO 0.14 -0.03 -0.38 -0.07 0.56 0.00 0.00 179.97 180.19 2d9x h LEU 99 N -0.04 -1.01 -1.64 3.04 3.38 -0.65 -1.02 115.31 117.37 2d9x h LEU 99 Ca 0.19 0.07 0.42 0.00 0.09 0.00 0.00 57.88 58.66 2d9x h LEU 99 Cb 0.47 0.32 -0.06 0.00 0.09 0.00 0.00 40.66 41.48 2d9x h LEU 99 CO -0.91 -0.57 1.24 1.56 0.09 0.00 0.00 178.44 179.85 2d9x h GLN 100 N -0.87 0.00 0.10 1.13 4.20 0.51 1.46 115.11 121.64 2d9x h GLN 100 Ca -0.05 0.00 -0.33 0.00 0.06 0.00 0.00 58.65 58.33 2d9x h GLN 100 Cb 0.74 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.50 2d9x h GLN 100 CO 0.01 0.00 -1.77 0.82 -0.67 0.00 0.00 178.83 177.22 2d9x h ILE 101 N 0.00 0.86 -0.32 2.54 2.04 -0.21 -3.29 117.51 119.13 2d9x h ILE 101 Ca 0.69 -2.58 -0.11 0.00 1.00 0.00 0.00 64.86 63.86 2d9x h ILE 101 Cb 3.16 2.59 -0.01 0.00 -0.74 0.00 0.00 36.82 41.82 2d9x h ILE 101 CO -0.01 0.78 -0.26 0.00 0.00 0.00 0.00 178.15 178.66 2d9x h THR 103 N 0.57 1.25 0.00 0.00 1.03 -0.90 -2.73 112.91 112.13 2d9x h THR 103 Ca 0.08 -1.19 -0.04 0.00 -0.01 0.00 0.00 66.41 65.25 2d9x h THR 103 Cb 0.75 1.39 -0.01 0.00 -1.07 0.00 0.00 68.15 69.21 2d9x h THR 103 CO 0.06 0.37 -0.50 -0.61 -0.01 0.00 0.00 175.52 174.83 2d9x h GLN 104 N 0.31 0.00 -0.73 0.00 4.15 -1.57 -2.59 115.11 114.67 2d9x h GLN 104 Ca 0.05 0.00 0.21 0.00 0.77 0.00 0.00 58.65 59.68 2d9x h GLN 104 Cb 0.61 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.27 2d9x h GLN 104 CO 0.04 0.22 0.92 1.25 -1.93 0.00 0.00 178.83 179.33 2d9x h HIS 105 N -1.00 0.00 0.00 3.99 2.76 -0.36 0.81 115.15 121.35 2d9x h HIS 105 Ca -0.06 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.11 2d9x h HIS 105 Cb 0.56 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.52 2d9x h HIS 105 CO -0.10 0.00 -0.35 0.72 -1.30 0.00 0.00 177.93 176.91 2d9x n HIS 106 N -3.34 0.41 -0.49 5.26 8.25 -1.03 -3.17 115.22 121.12 2d9x n HIS 106 Ca 0.16 0.18 0.40 0.00 -0.26 0.00 0.00 57.72 58.20 2d9x n HIS 106 Cb 1.16 -0.49 0.72 0.00 1.12 0.00 0.00 29.99 32.50 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 -0.56 0.19 0.26 1.59 1.03 -0.98 0.80 112.91 115.23 2d9x h THR 107 Ca 0.00 -0.02 -0.34 0.00 -0.01 0.00 0.00 66.41 66.04 2d9x h THR 107 Cb 0.35 0.12 0.04 0.00 -1.07 0.00 0.00 68.15 67.59 2d9x h THR 107 CO 0.00 0.01 -1.48 -0.08 -0.01 0.00 0.00 175.52 173.96 2d9x h GLU 108 N 0.07 0.54 -0.43 0.00 4.57 -1.06 -3.30 114.58 114.97 2d9x h GLU 108 Ca 0.78 -0.93 -0.03 0.00 -1.18 0.00 0.00 59.36 58.00 2d9x h GLU 108 Cb 2.78 0.34 -0.02 0.00 -0.16 0.00 0.00 28.75 31.70 2d9x h GLU 108 CO -0.18 1.44 0.13 0.00 -1.18 0.00 0.00 179.01 179.22 2d9x h ALA 109 N 0.15 1.42 -2.03 2.92 0.00 0.56 -3.41 119.26 118.86 2d9x h ALA 109 Ca -0.26 -0.15 -0.58 0.00 0.00 0.00 0.00 54.91 53.92 2d9x h ALA 109 Cb 2.17 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.78 2d9x h ALA 109 CO 0.28 0.43 1.43 0.42 0.00 0.00 0.00 179.25 181.80 2d9x s ILE 110 N -5.21 3.06 0.00 0.00 1.01 -0.03 -4.79 121.20 115.24 2d9x s ILE 110 Ca -0.08 0.07 0.00 0.00 0.00 0.00 0.00 60.65 60.63 2d9x s ILE 110 Cb 0.16 -3.08 0.00 0.00 0.01 0.00 0.00 42.46 39.56 2d9x s ILE 110 CO 0.77 -0.04 0.00 0.61 0.00 0.00 0.00 174.94 176.27 2d9x n GLY 111 N 5.52 3.33 2.86 6.18 0.00 -1.26 -5.00 105.19 116.82 2d9x n GLY 111 Ca 0.27 -0.14 -0.49 0.00 0.00 0.00 0.00 46.02 45.67 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 -3.08 1.61 5.02 -1.26 -4.84 118.16 115.60 2d9x n LYS 112 Ca 0.00 0.00 -0.44 0.00 -2.02 0.00 0.00 58.31 55.85 2d9x n LYS 112 Cb 0.00 -1.20 -0.04 0.00 -0.02 0.00 0.00 35.03 33.76 2d9x n LYS 112 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 2d9x s ASN 113 N 0.60 6.18 -0.96 4.39 -0.87 -1.26 -4.98 114.94 118.04 2d9x s ASN 113 Ca 0.76 -1.38 -0.07 0.00 -1.57 0.00 0.00 52.86 50.59 2d9x s ASN 113 Cb -1.06 -2.31 0.24 0.00 -0.02 0.00 0.00 41.25 38.09 2d9x s ASN 113 CO 0.51 -1.15 0.90 0.20 -2.57 0.00 0.00 177.10 174.99 2d9x s ASN 114 N 3.63 6.69 0.18 -1.22 -0.87 -1.26 -4.92 114.94 117.17 2d9x s ASN 114 Ca 0.13 -3.41 -0.22 0.00 -1.57 0.00 0.00 52.86 47.79 2d9x s ASN 114 Cb -0.23 -2.10 0.10 0.00 -0.02 0.00 0.00 41.25 39.00 2d9x s ASN 114 CO 0.07 -0.32 1.59 -1.28 -2.57 0.00 0.00 177.10 174.59 2d9x h SER 115 N 6.71 -1.17 0.00 -1.22 0.87 -2.03 -3.47 113.55 113.25 2d9x h SER 115 Ca 0.15 0.22 0.00 0.00 -1.23 0.00 0.00 61.79 60.93 2d9x h SER 115 Cb 0.89 0.57 0.00 0.00 -0.44 0.00 0.00 62.40 63.42 2d9x h SER 115 CO 0.90 -0.31 0.00 0.61 -0.53 0.00 0.00 176.83 177.50 2d9x n GLY 116 N -1.43 0.73 0.00 5.77 0.00 -1.26 -4.96 105.19 104.04 2d9x n GLY 116 Ca 0.03 -0.64 0.06 0.00 0.00 0.00 0.00 46.02 45.47 2d9x n GLY 116 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2d9x n PRO 117 N 0.00 0.49 -3.74 1.61 -0.04 -1.26 -4.58 135.00 127.47 2d9x n PRO 117 Ca 0.00 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.33 2d9x n PRO 117 Cb 0.00 -1.36 -0.14 0.00 -0.04 0.00 0.00 33.50 31.96 2d9x n PRO 117 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2d9x s SER 118 N -1.86 -0.14 0.30 3.54 1.04 -1.26 -5.16 113.70 110.16 2d9x s SER 118 Ca 0.17 0.35 0.04 0.00 0.48 0.00 0.00 55.95 56.99 2d9x s SER 118 Cb 0.08 0.24 -0.04 0.00 0.10 0.00 0.00 66.02 66.40 2d9x s SER 118 CO 0.13 -0.15 0.18 -0.94 0.98 0.00 0.00 173.24 173.44 2d9x s SER 119 N 1.20 1.48 0.00 7.02 1.04 -1.26 -5.19 113.70 117.99 2d9x s SER 119 Ca -0.09 -1.59 0.00 0.00 0.48 0.00 0.00 55.95 54.75 2d9x s SER 119 Cb -0.11 0.43 0.00 0.00 0.10 0.00 0.00 66.02 66.44 2d9x s SER 119 CO -0.07 -0.93 0.00 0.61 0.98 0.00 0.00 173.24 173.84