#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 1.57 0.21 1.61 0.01 -1.26 -5.05 113.70 110.79 2d9x s SER 2 Ca 0.00 -0.86 -0.21 0.00 1.31 0.00 0.00 55.95 56.19 2d9x s SER 2 Cb 0.00 -0.00 0.14 0.00 0.21 0.00 0.00 66.02 66.37 2d9x s SER 2 CO 0.00 -0.27 1.52 -1.54 0.41 0.00 0.00 173.24 173.36 2d9x n SER 3 N 0.37 -0.76 0.00 2.44 3.41 -1.26 -4.91 113.62 112.91 2d9x n SER 3 Ca -0.15 1.73 0.00 0.00 -0.26 0.00 0.00 58.87 60.19 2d9x n SER 3 Cb 0.58 -0.34 0.00 0.00 -0.26 0.00 0.00 64.21 64.19 2d9x n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2d9x n GLY 4 N -1.40 -2.06 3.62 5.00 0.00 -1.26 -5.00 105.19 104.10 2d9x n GLY 4 Ca 0.08 -1.52 -0.10 0.00 0.00 0.00 0.00 46.02 44.48 2d9x n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2d9x s SER 5 N -3.97 -0.86 -0.75 1.61 0.15 -1.26 -5.09 113.70 103.52 2d9x s SER 5 Ca 0.00 1.47 -0.34 0.00 0.70 0.00 0.00 55.95 57.78 2d9x s SER 5 Cb 0.00 1.40 -0.18 0.00 -1.71 0.00 0.00 66.02 65.52 2d9x s SER 5 CO 0.00 -0.24 2.48 -1.20 1.20 0.00 0.00 173.24 175.48 2d9x n SER 6 N 3.71 0.85 -1.22 5.45 7.64 -1.26 -3.79 113.62 125.00 2d9x n SER 6 Ca -0.18 0.24 -0.00 0.00 1.01 0.00 0.00 58.87 59.94 2d9x n SER 6 Cb 0.57 -1.03 -0.00 0.00 -1.01 0.00 0.00 64.21 62.74 2d9x n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2d9x n GLY 7 N 6.68 -3.07 3.64 0.23 0.00 -1.26 -4.92 105.19 106.50 2d9x n GLY 7 Ca 0.57 -0.45 -0.43 0.00 0.00 0.00 0.00 46.02 45.71 2d9x n GLY 7 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2d9x s GLU 8 N -1.67 4.03 -0.29 1.61 2.02 -1.25 -4.97 118.70 118.17 2d9x s GLU 8 Ca -0.01 1.63 -0.14 0.00 0.02 0.00 0.00 54.97 56.48 2d9x s GLU 8 Cb 0.00 -3.90 0.10 0.00 0.10 0.00 0.00 34.13 30.43 2d9x s GLU 8 CO 0.02 -0.99 0.69 -0.80 0.02 0.00 0.00 175.26 174.19 2d9x s ASN 9 N 2.99 -1.00 -0.17 -0.19 0.01 -1.26 -4.40 114.94 110.93 2d9x s ASN 9 Ca 0.62 1.52 -0.02 0.00 -0.71 0.00 0.00 52.86 54.27 2d9x s ASN 9 Cb -0.23 1.67 -0.02 0.00 0.41 0.00 0.00 41.25 43.08 2d9x s ASN 9 CO 0.23 -0.23 -0.08 -0.69 -1.51 0.00 0.00 177.10 174.82 2d9x s VAL 10 N 2.02 3.37 0.06 1.60 1.01 -1.26 -5.00 120.40 122.20 2d9x s VAL 10 Ca -0.09 -0.53 -0.04 0.00 0.00 0.00 0.00 61.98 61.32 2d9x s VAL 10 Cb -0.07 -2.47 -0.02 0.00 0.00 0.00 0.00 36.38 33.82 2d9x s VAL 10 CO -0.20 0.48 0.07 -0.72 0.00 0.00 0.00 175.10 174.73 2d9x s TYR 11 N 0.75 0.32 0.00 5.22 -0.85 -1.26 -0.13 117.35 121.39 2d9x s TYR 11 Ca -0.03 -0.76 0.00 0.00 -0.52 0.00 0.00 57.07 55.76 2d9x s TYR 11 Cb -0.15 -0.22 0.00 0.00 0.38 0.00 0.00 41.96 41.97 2d9x s TYR 11 CO 0.02 -0.42 0.00 0.41 -1.52 0.00 0.00 175.55 174.04 2d9x n GLY 12 N 0.29 1.33 3.57 5.49 0.00 -0.58 -5.01 105.19 110.28 2d9x n GLY 12 Ca -0.16 -0.66 -0.41 0.00 0.00 0.00 0.00 46.02 44.79 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 2.11 0.21 1.61 1.51 -1.26 -1.73 117.35 117.79 2d9x s TYR 13 Ca 0.00 0.48 0.07 0.00 -1.01 0.00 0.00 57.07 56.62 2d9x s TYR 13 Cb 0.00 -4.34 -0.04 0.00 -0.11 0.00 0.00 41.96 37.47 2d9x s TYR 13 CO 0.00 -2.13 0.07 -0.51 -1.11 0.00 0.00 175.55 171.87 2d9x s LEU 14 N 6.75 3.51 -0.27 -1.29 1.43 0.56 -4.65 118.68 124.72 2d9x s LEU 14 Ca 0.55 -0.35 -0.14 0.00 -1.03 0.00 0.00 54.13 53.16 2d9x s LEU 14 Cb -0.12 -2.11 -0.04 0.00 0.03 0.00 0.00 46.19 43.96 2d9x s LEU 14 CO 0.23 0.04 0.35 -0.04 0.23 0.00 0.00 176.35 177.16 2d9x s MET 15 N -3.31 4.00 -0.12 1.70 -1.94 -1.15 -0.91 119.30 117.57 2d9x s MET 15 Ca 0.30 -0.01 -0.10 0.00 -1.71 0.00 0.00 55.69 54.17 2d9x s MET 15 Cb -0.09 -3.66 -0.05 0.00 2.01 0.00 0.00 34.83 33.05 2d9x s MET 15 CO 0.21 -0.27 0.21 0.21 -0.01 0.00 0.00 175.02 175.38 2d9x s LYS 16 N 2.03 3.79 -0.40 2.03 2.47 0.12 -2.63 119.74 127.15 2d9x s LYS 16 Ca 0.14 -0.01 -0.23 0.00 -1.56 0.00 0.00 55.97 54.31 2d9x s LYS 16 Cb -0.16 -3.27 0.02 0.00 -1.46 0.00 0.00 37.83 32.95 2d9x s LYS 16 CO 0.10 0.59 0.78 -0.47 0.16 0.00 0.00 175.35 176.52 2d9x s TYR 17 N -0.55 3.06 -0.13 4.03 5.04 -1.10 -1.94 117.35 125.76 2d9x s TYR 17 Ca 0.16 0.40 0.03 0.00 -2.44 0.00 0.00 57.07 55.21 2d9x s TYR 17 Cb -0.13 -3.50 -0.24 0.00 0.35 0.00 0.00 41.96 38.44 2d9x s TYR 17 CO 0.05 -0.83 0.32 -2.37 -1.34 0.00 0.00 175.55 171.38 2d9x n THR 18 N 5.93 1.65 -3.85 4.34 5.66 -1.26 -4.89 114.28 121.86 2d9x n THR 18 Ca 0.03 -0.70 -0.05 0.00 -3.05 0.00 0.00 64.05 60.27 2d9x n THR 18 Cb 0.48 -1.36 0.02 0.00 -1.55 0.00 0.00 70.33 67.92 2d9x n THR 18 CO 0.00 0.00 0.00 0.20 -3.05 0.00 0.00 175.07 172.22 2d9x s ASN 19 N -6.53 -0.01 -0.05 1.09 -0.87 -1.26 -5.04 114.94 102.26 2d9x s ASN 19 Ca -0.18 -0.83 -0.19 0.00 -1.57 0.00 0.00 52.86 50.10 2d9x s ASN 19 Cb 0.07 0.63 -0.13 0.00 -0.02 0.00 0.00 41.25 41.81 2d9x s ASN 19 CO 0.76 -1.25 0.77 -0.07 -2.57 0.00 0.00 177.10 174.75 2d9x h LEU 20 N 2.00 -0.26 0.30 0.60 4.07 -1.97 -2.76 115.31 117.29 2d9x h LEU 20 Ca -0.29 -0.23 -0.01 0.00 0.08 0.00 0.00 57.88 57.44 2d9x h LEU 20 Cb 1.23 0.07 -0.01 0.00 1.08 0.00 0.00 40.66 43.03 2d9x h LEU 20 CO 0.37 0.25 -0.21 1.62 -1.08 0.00 0.00 178.44 179.38 2d9x h VAL 21 N -0.95 0.55 -0.97 1.22 3.04 -2.05 -2.37 116.25 114.72 2d9x h VAL 21 Ca -0.03 0.00 0.22 0.00 -1.01 0.00 0.00 66.70 65.88 2d9x h VAL 21 Cb 0.47 0.55 -0.08 0.00 -2.01 0.00 0.00 31.29 30.22 2d9x h VAL 21 CO 0.05 0.00 0.63 0.74 -1.01 0.00 0.00 177.57 177.98 2d9x h THR 22 N -0.51 0.64 0.00 3.17 2.02 -1.97 -3.46 112.91 112.80 2d9x h THR 22 Ca -0.02 -0.17 0.00 0.00 0.77 0.00 0.00 66.41 66.99 2d9x h THR 22 Cb 0.43 0.10 0.00 0.00 -1.74 0.00 0.00 68.15 66.94 2d9x h THR 22 CO 0.01 0.09 0.00 0.61 0.37 0.00 0.00 175.52 176.60 2d9x n GLY 23 N -1.46 1.71 3.20 2.16 0.00 -0.89 -4.81 105.19 105.10 2d9x n GLY 23 Ca 0.22 -0.56 -0.27 0.00 0.00 0.00 0.00 46.02 45.41 2d9x n GLY 23 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2d9x s TRP 24 N 0.00 1.81 -0.06 1.61 0.52 -1.26 -4.23 118.94 117.33 2d9x s TRP 24 Ca 0.00 -0.37 0.05 0.00 0.02 0.00 0.00 56.10 55.80 2d9x s TRP 24 Cb 0.00 -1.17 -0.01 0.00 -1.15 0.00 0.00 33.47 31.14 2d9x s TRP 24 CO 0.00 -0.05 -0.22 -0.65 0.02 0.00 0.00 176.95 176.04 2d9x s GLN 25 N -0.40 2.36 0.40 4.98 -0.21 -0.82 -4.95 119.66 121.03 2d9x s GLN 25 Ca 0.06 -0.81 -0.24 0.00 0.02 0.00 0.00 55.36 54.40 2d9x s GLN 25 Cb -0.08 -1.98 -0.09 0.00 1.00 0.00 0.00 33.01 31.85 2d9x s GLN 25 CO -0.00 0.31 1.04 0.71 -2.12 0.00 0.00 175.29 175.23 2d9x s TYR 26 N -0.03 3.27 0.16 0.91 2.02 -1.26 0.13 117.35 122.54 2d9x s TYR 26 Ca -0.06 1.64 -0.25 0.00 -0.37 0.00 0.00 57.07 58.04 2d9x s TYR 26 Cb -0.14 -3.10 0.06 0.00 -0.40 0.00 0.00 41.96 38.39 2d9x s TYR 26 CO 0.04 -0.57 0.88 1.03 -1.57 0.00 0.00 175.55 175.35 2d9x s ARG 27 N -2.57 1.27 -0.19 -0.62 0.52 -0.09 -4.86 118.95 112.42 2d9x s ARG 27 Ca 0.58 -0.67 -0.09 0.00 -0.52 0.00 0.00 55.73 55.03 2d9x s ARG 27 Cb -0.21 0.46 -0.05 0.00 0.52 0.00 0.00 34.95 35.67 2d9x s ARG 27 CO 0.26 -0.58 0.12 0.12 0.02 0.00 0.00 175.30 175.23 2d9x s PHE 28 N -3.42 3.39 0.06 -0.53 5.36 -0.58 -0.32 117.98 121.93 2d9x s PHE 28 Ca 0.10 0.29 0.09 0.00 -0.96 0.00 0.00 56.93 56.46 2d9x s PHE 28 Cb -0.02 -2.12 -0.03 0.00 -0.34 0.00 0.00 43.02 40.51 2d9x s PHE 28 CO 0.01 0.30 -0.26 -0.06 -1.46 0.00 0.00 175.22 173.75 2d9x s PHE 29 N 0.23 2.26 -0.14 10.12 0.40 -0.71 0.61 117.98 130.75 2d9x s PHE 29 Ca 0.08 -0.41 -0.04 0.00 -0.60 0.00 0.00 56.93 55.96 2d9x s PHE 29 Cb -0.11 -1.33 0.05 0.00 0.51 0.00 0.00 43.02 42.13 2d9x s PHE 29 CO -0.01 0.15 0.08 0.08 0.70 0.00 0.00 175.22 176.21 2d9x s VAL 30 N -0.84 -0.01 0.33 -0.44 1.01 -0.90 -1.52 120.40 118.03 2d9x s VAL 30 Ca 0.11 -0.08 -0.27 0.00 0.00 0.00 0.00 61.98 61.74 2d9x s VAL 30 Cb -0.10 -0.54 -0.09 0.00 0.00 0.00 0.00 36.38 35.65 2d9x s VAL 30 CO 0.03 -0.17 1.03 -0.22 0.00 0.00 0.00 175.10 175.77 2d9x s LEU 31 N 2.11 4.37 -0.25 3.92 2.96 0.82 -3.41 118.68 129.20 2d9x s LEU 31 Ca 0.02 2.06 -0.04 0.00 -0.22 0.00 0.00 54.13 55.95 2d9x s LEU 31 Cb -0.15 -3.91 0.00 0.00 0.50 0.00 0.00 46.19 42.63 2d9x s LEU 31 CO -0.08 -0.22 -0.01 0.20 -1.32 0.00 0.00 176.35 174.92 2d9x s ASN 32 N -1.32 4.55 -0.11 3.68 0.01 -1.06 -4.18 114.94 116.51 2d9x s ASN 32 Ca 0.50 -0.55 -0.06 0.00 -0.71 0.00 0.00 52.86 52.04 2d9x s ASN 32 Cb -0.25 -1.77 -0.26 0.00 0.41 0.00 0.00 41.25 39.38 2d9x s ASN 32 CO 0.31 -0.08 0.40 -3.20 -1.51 0.00 0.00 177.10 173.02 2d9x n ASN 33 N 4.80 2.06 -0.23 -1.22 2.85 -1.26 -1.03 115.26 121.23 2d9x n ASN 33 Ca -0.17 0.23 -0.07 0.00 -0.11 0.00 0.00 54.58 54.46 2d9x n ASN 33 Cb 0.49 -0.83 0.07 0.00 1.24 0.00 0.00 39.78 40.75 2d9x n ASN 33 CO 0.00 0.00 0.00 1.05 -2.11 0.00 0.00 177.26 176.20 2d9x h GLU 34 N 0.07 1.08 0.00 1.20 4.11 -1.93 -3.35 114.58 115.76 2d9x h GLU 34 Ca -0.41 -0.27 -0.20 0.00 0.07 0.00 0.00 59.36 58.55 2d9x h GLU 34 Cb 2.04 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 31.12 2d9x h GLU 34 CO 0.09 0.97 -1.54 0.00 0.07 0.00 0.00 179.01 178.60 2d9x n ALA 35 N -2.46 0.94 0.00 1.06 0.00 -1.26 -5.05 120.51 113.73 2d9x n ALA 35 Ca 0.05 -0.85 0.00 0.00 0.00 0.00 0.00 53.44 52.64 2d9x n ALA 35 Cb 0.27 0.01 0.00 0.00 0.00 0.00 0.00 19.45 19.73 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 1.40 1.71 3.25 0.00 0.00 -0.20 -5.07 105.19 106.28 2d9x n GLY 36 Ca -0.30 0.00 -0.30 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 2.03 -0.40 0.99 1.43 -1.22 -3.52 118.68 118.00 2d9x s LEU 37 Ca 0.00 -0.45 -0.16 0.00 -1.03 0.00 0.00 54.13 52.49 2d9x s LEU 37 Cb 0.00 -1.24 0.01 0.00 0.03 0.00 0.00 46.19 44.99 2d9x s LEU 37 CO 0.00 0.25 0.38 -0.22 0.23 0.00 0.00 176.35 177.00 2d9x s LEU 38 N -0.32 4.81 0.44 1.79 2.96 -0.78 -2.56 118.68 125.03 2d9x s LEU 38 Ca 0.02 -0.61 0.06 0.00 -0.22 0.00 0.00 54.13 53.38 2d9x s LEU 38 Cb -0.11 -2.32 -0.04 0.00 0.50 0.00 0.00 46.19 44.22 2d9x s LEU 38 CO 0.01 -0.49 0.13 -1.61 -1.32 0.00 0.00 176.35 173.08 2d9x s GLU 39 N 2.00 2.16 -0.21 1.98 2.02 -1.22 -1.26 118.70 124.16 2d9x s GLU 39 Ca 0.10 -2.01 -0.12 0.00 0.02 0.00 0.00 54.97 52.96 2d9x s GLU 39 Cb -0.17 -1.84 0.07 0.00 0.10 0.00 0.00 34.13 32.28 2d9x s GLU 39 CO 0.12 -0.19 0.52 1.52 0.02 0.00 0.00 175.26 177.25 2d9x s TYR 40 N -2.69 -0.77 -0.07 1.61 -0.85 -1.19 -2.12 117.35 111.27 2d9x s TYR 40 Ca 0.33 1.61 0.03 0.00 -0.52 0.00 0.00 57.07 58.52 2d9x s TYR 40 Cb 0.04 0.40 -0.02 0.00 0.38 0.00 0.00 41.96 42.76 2d9x s TYR 40 CO 0.18 -0.41 -0.14 -0.06 -1.52 0.00 0.00 175.55 173.60 2d9x s PHE 41 N 1.46 2.73 0.34 -3.49 0.08 0.20 -2.98 117.98 116.31 2d9x s PHE 41 Ca -0.09 -0.30 0.24 0.00 0.12 0.00 0.00 56.93 56.89 2d9x s PHE 41 Cb -0.07 -1.69 1.18 0.00 -0.57 0.00 0.00 43.02 41.87 2d9x s PHE 41 CO -0.15 0.07 1.27 0.28 -0.10 0.00 0.00 175.22 176.59 2d9x n VAL 42 N 2.66 -0.24 -3.60 -0.44 0.31 -1.26 -1.53 118.33 114.22 2d9x n VAL 42 Ca -0.17 1.51 -0.10 0.00 -0.01 0.00 0.00 64.34 65.57 2d9x n VAL 42 Cb 0.52 -2.47 -0.02 0.00 -0.91 0.00 0.00 33.84 30.96 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 -4.41 -0.42 0.28 4.52 2.20 -1.26 -4.02 114.94 111.84 2d9x s ASN 43 Ca -0.06 -0.24 -0.01 0.00 -0.94 0.00 0.00 52.86 51.60 2d9x s ASN 43 Cb 0.26 0.63 0.46 0.00 -2.00 0.00 0.00 41.25 40.60 2d9x s ASN 43 CO 0.65 -1.09 1.90 -0.08 -2.94 0.00 0.00 177.10 175.55 2d9x h GLU 44 N 2.00 1.08 -0.76 3.55 4.81 -1.94 -0.81 114.58 122.51 2d9x h GLU 44 Ca -0.27 -0.06 0.22 0.00 -0.13 0.00 0.00 59.36 59.11 2d9x h GLU 44 Cb 1.28 -0.24 -0.03 0.00 0.63 0.00 0.00 28.75 30.39 2d9x h GLU 44 CO 0.31 0.71 0.60 1.96 -0.73 0.00 0.00 179.01 181.87 2d9x h GLN 45 N 1.11 0.00 -2.14 1.92 1.08 -1.96 -1.87 115.11 113.25 2d9x h GLN 45 Ca 0.41 0.00 -0.54 0.00 -1.45 0.00 0.00 58.65 57.07 2d9x h GLN 45 Cb 0.18 0.00 -0.16 0.00 -0.05 0.00 0.00 27.48 27.45 2d9x h GLN 45 CO -0.16 0.00 0.82 0.45 -0.95 0.00 0.00 178.83 178.99 2d9x n SER 46 N -4.09 6.78 -0.06 1.46 2.88 -0.31 -4.51 113.62 115.77 2d9x n SER 46 Ca 0.15 -3.16 -0.16 0.00 -1.33 0.00 0.00 58.87 54.37 2d9x n SER 46 Cb 0.88 -1.27 -0.13 0.00 -0.75 0.00 0.00 64.21 62.94 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 3.36 0.03 -1.69 -1.46 2.47 -1.53 -3.33 114.38 112.22 2d9x h ARG 47 Ca 0.46 -0.05 -0.24 0.00 -1.26 0.00 0.00 59.98 58.89 2d9x h ARG 47 Cb 0.65 0.02 -0.10 0.00 -1.65 0.00 0.00 29.97 28.89 2d9x h ARG 47 CO 0.99 1.02 0.28 0.09 0.56 0.00 0.00 179.97 182.91 2d9x n ASN 48 N -4.53 6.12 -4.17 7.04 3.02 -1.26 -4.85 115.26 116.63 2d9x n ASN 48 Ca -0.14 -2.87 -0.11 0.00 -0.03 0.00 0.00 54.58 51.43 2d9x n ASN 48 Cb 0.54 -1.10 -0.10 0.00 -0.61 0.00 0.00 39.78 38.52 2d9x n ASN 48 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 2d9x s GLN 49 N -1.22 0.83 0.29 3.52 0.74 -1.25 -5.13 119.66 117.44 2d9x s GLN 49 Ca 0.25 -1.32 -0.30 0.00 0.05 0.00 0.00 55.36 54.04 2d9x s GLN 49 Cb 0.18 -0.23 -0.11 0.00 1.10 0.00 0.00 33.01 33.95 2d9x s GLN 49 CO -0.01 -0.01 1.54 0.21 -0.55 0.00 0.00 175.29 176.47 2d9x s LYS 50 N -3.74 4.16 0.20 1.67 2.47 -1.26 -4.95 119.74 118.29 2d9x s LYS 50 Ca 0.11 2.50 -0.30 0.00 -1.56 0.00 0.00 55.97 56.72 2d9x s LYS 50 Cb 0.05 -3.04 -0.09 0.00 -1.46 0.00 0.00 37.83 33.29 2d9x s LYS 50 CO -0.04 -0.56 1.30 -1.25 0.16 0.00 0.00 175.35 174.96 2d9x s PRO 51 N -0.65 4.39 0.23 4.03 0.04 -1.26 -4.93 135.00 136.84 2d9x s PRO 51 Ca 0.61 2.04 -0.07 0.00 0.04 0.00 0.00 61.00 63.62 2d9x s PRO 51 Cb -0.46 -3.20 0.30 0.00 0.04 0.00 0.00 34.50 31.18 2d9x s PRO 51 CO 0.48 -0.24 1.83 0.00 0.04 0.00 0.00 177.00 179.12 2d9x h ARG 52 N 5.35 0.83 -2.48 4.56 2.47 -1.90 -3.44 114.38 119.77 2d9x h ARG 52 Ca -0.45 -0.05 -0.09 0.00 -1.26 0.00 0.00 59.98 58.13 2d9x h ARG 52 Cb 1.21 -0.19 -0.22 0.00 -1.65 0.00 0.00 29.97 29.12 2d9x h ARG 52 CO 0.77 0.55 -0.09 0.20 0.56 0.00 0.00 179.97 181.96 2d9x s GLY 53 N -3.11 -0.39 0.11 0.04 0.00 -1.26 -5.07 107.32 97.64 2d9x s GLY 53 Ca -0.13 1.36 0.07 0.00 0.00 0.00 0.00 44.72 46.02 2d9x s GLY 53 CO 0.78 1.14 -0.18 -0.51 0.00 0.00 0.00 173.10 174.33 2d9x s THR 54 N -0.01 1.52 -0.05 0.90 -4.23 -1.26 -3.19 115.64 109.32 2d9x s THR 54 Ca -0.02 -1.59 -0.02 0.00 -1.18 0.00 0.00 61.69 58.88 2d9x s THR 54 Cb -0.03 -1.49 0.04 0.00 1.34 0.00 0.00 72.50 72.35 2d9x s THR 54 CO 0.02 -0.21 0.10 -0.22 -0.54 0.00 0.00 174.62 173.77 2d9x s LEU 55 N -2.11 0.45 0.27 4.79 2.96 -0.39 -4.99 118.68 119.66 2d9x s LEU 55 Ca 0.07 0.20 -0.29 0.00 -0.22 0.00 0.00 54.13 53.88 2d9x s LEU 55 Cb -0.08 0.12 -0.09 0.00 0.50 0.00 0.00 46.19 46.63 2d9x s LEU 55 CO 0.04 -0.19 1.22 -1.10 -1.32 0.00 0.00 176.35 175.00 2d9x s GLN 56 N 1.69 4.48 -0.22 1.98 -0.21 -1.26 -1.86 119.66 124.25 2d9x s GLN 56 Ca -0.03 2.00 0.07 0.00 0.02 0.00 0.00 55.36 57.43 2d9x s GLN 56 Cb -0.12 -3.16 -0.21 0.00 1.00 0.00 0.00 33.01 30.52 2d9x s GLN 56 CO -0.05 -0.05 -0.03 1.28 -2.12 0.00 0.00 175.29 174.32 2d9x n LEU 57 N 1.54 1.81 -4.47 2.90 4.77 -1.23 -4.81 117.00 117.51 2d9x n LEU 57 Ca 0.01 -0.03 -0.44 0.00 -0.03 0.00 0.00 56.01 55.53 2d9x n LEU 57 Cb 0.43 -0.38 -0.13 0.00 -2.33 0.00 0.00 43.42 41.01 2d9x n LEU 57 CO 0.57 0.75 2.13 0.00 -1.33 0.00 0.00 177.39 179.51 2d9x n ALA 58 N -3.02 0.35 -1.57 -1.18 0.00 -1.26 0.52 120.51 114.34 2d9x n ALA 58 Ca -0.39 -0.27 0.00 0.00 0.00 0.00 0.00 53.44 52.79 2d9x n ALA 58 Cb 1.06 -2.34 0.00 0.00 0.00 0.00 0.00 19.45 18.17 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 6.60 0.97 3.76 0.00 0.00 -1.24 -4.67 105.19 110.61 2d9x n GLY 59 Ca 0.61 -0.44 -0.23 0.00 0.00 0.00 0.00 46.02 45.96 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 -2.60 3.65 0.01 4.61 0.00 0.18 -1.75 121.76 125.87 2d9x s ALA 60 Ca 0.00 -1.96 0.07 0.00 0.00 0.00 0.00 51.96 50.07 2d9x s ALA 60 Cb 0.00 -0.64 -0.02 0.00 0.00 0.00 0.00 23.12 22.46 2d9x s ALA 60 CO 0.00 -0.10 -0.21 0.08 0.00 0.00 0.00 175.76 175.53 2d9x s VAL 61 N -2.51 1.68 -0.26 0.00 1.01 -1.23 -4.91 120.40 114.18 2d9x s VAL 61 Ca 0.41 -1.05 0.03 0.00 0.00 0.00 0.00 61.98 61.37 2d9x s VAL 61 Cb 0.00 -1.43 0.06 0.00 0.00 0.00 0.00 36.38 35.01 2d9x s VAL 61 CO 0.24 0.35 -0.10 -0.63 0.00 0.00 0.00 175.10 174.95 2d9x s ILE 62 N -0.64 2.11 -0.49 2.22 1.09 -1.26 -0.64 121.20 123.60 2d9x s ILE 62 Ca 0.08 -1.61 0.04 0.00 -1.10 0.00 0.00 60.65 58.06 2d9x s ILE 62 Cb -0.08 -2.24 0.13 0.00 -1.06 0.00 0.00 42.46 39.20 2d9x s ILE 62 CO 0.00 -0.04 0.23 -0.55 -0.10 0.00 0.00 174.94 174.48 2d9x s SER 63 N 1.12 4.31 -0.07 3.58 0.15 -1.07 -5.01 113.70 116.71 2d9x s SER 63 Ca -0.09 -2.85 -0.30 0.00 0.70 0.00 0.00 55.95 53.42 2d9x s SER 63 Cb -0.20 -1.57 -0.05 0.00 -1.71 0.00 0.00 66.02 62.49 2d9x s SER 63 CO -0.05 -0.26 1.51 -2.16 1.20 0.00 0.00 173.24 173.48 2d9x s PRO 64 N -0.05 4.21 1.11 5.44 0.04 -1.26 -3.27 135.00 141.22 2d9x s PRO 64 Ca 0.16 2.02 -0.16 0.00 0.04 0.00 0.00 61.00 63.06 2d9x s PRO 64 Cb -0.25 -3.85 0.25 0.00 0.04 0.00 0.00 34.50 30.69 2d9x s PRO 64 CO -0.01 -0.76 0.56 0.43 0.04 0.00 0.00 177.00 177.25 2d9x n SER 65 N 6.65 -3.39 0.00 6.66 7.64 -1.24 -4.97 113.62 124.97 2d9x n SER 65 Ca 0.16 -0.56 0.00 0.00 1.01 0.00 0.00 58.87 59.47 2d9x n SER 65 Cb 0.43 -0.80 0.00 0.00 -1.01 0.00 0.00 64.21 62.83 2d9x n SER 65 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2d9x n ASP 66 N -2.84 0.45 0.00 6.43 2.03 -1.26 -4.92 116.55 116.44 2d9x n ASP 66 Ca 0.09 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.40 2d9x n ASP 66 Cb 0.38 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.78 2d9x n ASP 66 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2d9x n GLU 67 N -2.53 0.00 -0.27 -0.67 1.02 -1.26 -4.57 120.64 112.36 2d9x n GLU 67 Ca 0.00 0.78 -0.17 0.00 -0.02 0.00 0.00 57.16 57.74 2d9x n GLU 67 Cb 0.22 -1.27 0.16 0.00 -0.02 0.00 0.00 31.44 30.54 2d9x n GLU 67 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 2d9x n ASP 68 N -2.16 -2.78 -0.08 1.62 5.68 -1.26 -5.03 116.55 112.55 2d9x n ASP 68 Ca 0.00 -0.62 -0.07 0.00 -0.50 0.00 0.00 54.79 53.60 2d9x n ASP 68 Cb 0.00 -0.57 -0.02 0.00 -1.14 0.00 0.00 41.12 39.38 2d9x n ASP 68 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 2d9x n SER 69 N -4.47 1.81 -4.23 -1.12 7.64 -1.26 -4.87 113.62 107.12 2d9x n SER 69 Ca 0.08 0.44 -0.38 0.00 1.01 0.00 0.00 58.87 60.02 2d9x n SER 69 Cb 0.34 -0.78 -0.11 0.00 -1.01 0.00 0.00 64.21 62.65 2d9x n SER 69 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 2d9x s HIS 70 N -2.58 3.37 -0.02 1.43 3.76 -1.26 -4.76 115.29 115.23 2d9x s HIS 70 Ca -0.22 -1.75 -0.29 0.00 -0.15 0.00 0.00 55.06 52.65 2d9x s HIS 70 Cb 0.03 -2.85 0.10 0.00 1.11 0.00 0.00 32.58 30.98 2d9x s HIS 70 CO 0.33 -0.86 0.85 0.99 -0.85 0.00 0.00 174.74 175.21 2d9x s THR 71 N 1.34 0.00 -0.24 1.30 2.01 -1.26 -4.47 115.64 114.32 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 -0.22 -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 1.23 0.72 -0.69 0.00 0.00 174.62 175.88 2d9x s PHE 72 N -2.56 -0.17 -0.14 4.92 -0.71 -1.21 -3.65 117.98 114.45 2d9x s PHE 72 Ca 0.01 0.31 0.02 0.00 -1.04 0.00 0.00 56.93 56.23 2d9x s PHE 72 Cb -0.01 0.47 0.01 0.00 -1.21 0.00 0.00 43.02 42.29 2d9x s PHE 72 CO -0.05 -0.15 -0.21 0.95 -1.34 0.00 0.00 175.22 174.42 2d9x s THR 73 N -0.91 2.11 -0.61 -4.49 -4.23 -1.20 -3.05 115.64 103.25 2d9x s THR 73 Ca 0.05 -0.96 -0.13 0.00 -1.18 0.00 0.00 61.69 59.47 2d9x s THR 73 Cb -0.01 -1.85 0.16 0.00 1.34 0.00 0.00 72.50 72.13 2d9x s THR 73 CO -0.05 0.55 0.54 -0.69 -0.54 0.00 0.00 174.62 174.42 2d9x s VAL 74 N 0.85 5.00 1.10 2.29 1.01 -0.74 -2.61 120.40 127.29 2d9x s VAL 74 Ca -0.06 -1.96 -0.17 0.00 0.00 0.00 0.00 61.98 59.80 2d9x s VAL 74 Cb -0.15 -4.18 0.24 0.00 0.00 0.00 0.00 36.38 32.28 2d9x s VAL 74 CO -0.03 -0.90 1.15 0.20 0.00 0.00 0.00 175.10 175.53 2d9x s ASN 75 N 2.76 1.87 0.00 3.32 0.01 0.19 -1.82 114.94 121.27 2d9x s ASN 75 Ca 0.09 0.67 -0.02 0.00 -0.71 0.00 0.00 52.86 52.89 2d9x s ASN 75 Cb -0.23 -0.98 -0.01 0.00 0.41 0.00 0.00 41.25 40.45 2d9x s ASN 75 CO -0.02 -3.54 0.04 0.00 -1.51 0.00 0.00 177.10 172.07 2d9x s ALA 76 N -3.20 -0.07 0.20 0.60 0.00 -0.55 -3.55 121.76 115.19 2d9x s ALA 76 Ca 0.70 -0.20 -0.13 0.00 0.00 0.00 0.00 51.96 52.32 2d9x s ALA 76 Cb -0.10 0.05 0.21 0.00 0.00 0.00 0.00 23.12 23.28 2d9x s ALA 76 CO 0.55 -0.12 1.66 0.00 0.00 0.00 0.00 175.76 177.86 2d9x h ALA 77 N 5.14 0.46 -0.23 0.00 0.00 -1.61 -1.66 119.26 121.35 2d9x h ALA 77 Ca -0.29 0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 2d9x h ALA 77 Cb 1.21 0.34 -0.01 0.00 0.00 0.00 0.00 17.79 19.32 2d9x h ALA 77 CO 0.43 -0.41 0.11 0.77 0.00 0.00 0.00 179.25 180.16 2d9x h SER 78 N 0.06 0.29 0.00 0.00 0.02 -1.94 -3.47 113.55 108.52 2d9x h SER 78 Ca 0.27 -0.11 0.00 0.00 -0.84 0.00 0.00 61.79 61.11 2d9x h SER 78 Cb 0.43 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.89 2d9x h SER 78 CO -0.50 0.32 0.00 0.61 -1.14 0.00 0.00 176.83 176.12 2d9x n GLY 79 N -0.86 0.13 3.45 -3.77 0.00 -0.62 -5.17 105.19 98.35 2d9x n GLY 79 Ca -0.03 -0.16 -0.05 0.00 0.00 0.00 0.00 46.02 45.78 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 0.45 -0.08 1.61 2.12 -1.25 -4.93 118.70 116.62 2d9x s GLU 80 Ca 0.00 1.22 -0.03 0.00 0.36 0.00 0.00 54.97 56.52 2d9x s GLU 80 Cb 0.00 0.56 -0.04 0.00 0.26 0.00 0.00 34.13 34.92 2d9x s GLU 80 CO 0.00 -0.22 0.06 -1.14 -0.54 0.00 0.00 175.26 173.41 2d9x s GLN 81 N 2.68 3.12 -0.16 4.30 0.74 -1.26 -1.48 119.66 127.60 2d9x s GLN 81 Ca -0.04 -0.35 -0.00 0.00 0.05 0.00 0.00 55.36 55.02 2d9x s GLN 81 Cb -0.12 -2.91 -0.00 0.00 1.10 0.00 0.00 33.01 31.08 2d9x s GLN 81 CO -0.16 0.71 -0.14 0.71 -0.55 0.00 0.00 175.29 175.86 2d9x s TYR 82 N -0.99 2.81 -0.85 1.67 1.51 -0.76 -4.90 117.35 115.84 2d9x s TYR 82 Ca 0.16 -1.07 -0.15 0.00 -1.01 0.00 0.00 57.07 55.00 2d9x s TYR 82 Cb -0.12 -1.92 0.21 0.00 -0.11 0.00 0.00 41.96 40.02 2d9x s TYR 82 CO 0.05 -0.51 0.83 0.21 -1.11 0.00 0.00 175.55 175.02 2d9x s LYS 83 N 0.93 3.63 0.46 -0.62 2.20 -1.26 -1.79 119.74 123.28 2d9x s LYS 83 Ca -0.03 -2.39 0.07 0.00 -0.36 0.00 0.00 55.97 53.26 2d9x s LYS 83 Cb -0.15 -4.50 -0.01 0.00 -1.51 0.00 0.00 37.83 31.66 2d9x s LYS 83 CO -0.02 -1.36 0.33 -0.51 -0.36 0.00 0.00 175.35 173.44 2d9x s LEU 84 N 0.47 3.10 -0.02 5.43 1.43 -1.17 -2.69 118.68 125.22 2d9x s LEU 84 Ca 0.20 -1.00 -0.06 0.00 -1.03 0.00 0.00 54.13 52.25 2d9x s LEU 84 Cb -0.09 -1.61 0.01 0.00 0.03 0.00 0.00 46.19 44.53 2d9x s LEU 84 CO -0.09 -0.77 0.12 -0.60 0.23 0.00 0.00 176.35 175.25 2d9x s ARG 85 N -4.12 0.32 0.51 1.70 3.52 -1.08 -3.31 118.95 116.49 2d9x s ARG 85 Ca 0.42 -0.14 0.01 0.00 -0.13 0.00 0.00 55.73 55.88 2d9x s ARG 85 Cb -0.01 0.14 0.02 0.00 -1.56 0.00 0.00 34.95 33.54 2d9x s ARG 85 CO 0.24 -0.07 0.73 0.00 -0.81 0.00 0.00 175.30 175.40 2d9x s ALA 86 N -0.72 3.85 0.31 6.12 0.00 -1.26 -2.91 121.76 127.15 2d9x s ALA 86 Ca -0.08 -1.22 0.06 0.00 0.00 0.00 0.00 51.96 50.72 2d9x s ALA 86 Cb -0.05 -2.09 0.52 0.00 0.00 0.00 0.00 23.12 21.50 2d9x s ALA 86 CO 0.01 -0.59 1.75 0.00 0.00 0.00 0.00 175.76 176.93 2d9x h THR 87 N 0.21 1.27 -3.26 0.00 1.03 -1.94 -3.47 112.91 106.76 2d9x h THR 87 Ca -0.44 -1.30 0.01 0.00 -0.01 0.00 0.00 66.41 64.68 2d9x h THR 87 Cb 1.28 1.50 -0.08 0.00 -1.07 0.00 0.00 68.15 69.78 2d9x h THR 87 CO 0.54 0.39 0.08 -1.81 -0.01 0.00 0.00 175.52 174.72 2d9x s ASP 88 N -6.86 -0.23 0.55 0.00 1.01 -1.26 -5.02 116.67 104.87 2d9x s ASP 88 Ca -0.05 -0.64 0.31 0.00 0.71 0.00 0.00 52.55 52.88 2d9x s ASP 88 Cb 0.14 0.65 1.61 0.00 1.01 0.00 0.00 42.92 46.32 2d9x s ASP 88 CO 0.77 -1.20 2.11 0.00 0.21 0.00 0.00 175.17 177.06 2d9x h ALA 89 N 2.12 1.19 0.00 5.23 0.00 -1.90 -1.06 119.26 124.85 2d9x h ALA 89 Ca -0.24 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.60 2d9x h ALA 89 Cb 1.26 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.03 2d9x h ALA 89 CO 0.31 0.10 -0.05 -0.22 0.00 0.00 0.00 179.25 179.38 2d9x h LYS 90 N 0.00 0.00 0.01 0.00 3.64 -1.96 -3.28 116.57 114.98 2d9x h LYS 90 Ca -0.00 0.00 -0.34 0.00 -1.27 0.00 0.00 60.65 59.04 2d9x h LYS 90 Cb 0.30 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.07 2d9x h LYS 90 CO 0.01 0.00 -2.06 -1.91 -2.27 0.00 0.00 179.45 173.22 2d9x n GLU 91 N -2.81 0.67 -0.07 1.90 2.13 -0.51 -4.21 120.64 117.75 2d9x n GLU 91 Ca 0.04 0.17 -0.07 0.00 0.66 0.00 0.00 57.16 57.96 2d9x n GLU 91 Cb 0.50 -1.66 -0.01 0.00 0.27 0.00 0.00 31.44 30.54 2d9x n GLU 91 CO 0.00 0.00 0.00 -0.09 -0.41 0.00 0.00 177.13 176.63 2d9x h ARG 92 N 0.01 -0.16 -0.49 5.31 9.65 -1.34 -1.70 114.38 125.65 2d9x h ARG 92 Ca -0.42 0.01 0.07 0.00 -1.10 0.00 0.00 59.98 58.53 2d9x h ARG 92 Cb 2.09 0.04 -0.06 0.00 -1.39 0.00 0.00 29.97 30.65 2d9x h ARG 92 CO 0.05 -0.11 0.17 -0.56 2.80 0.00 0.00 179.97 182.32 2d9x h GLN 93 N -0.17 0.34 -0.80 0.20 3.07 -1.76 -0.68 115.11 115.31 2d9x h GLN 93 Ca 0.15 -0.02 0.18 0.00 0.09 0.00 0.00 58.65 59.05 2d9x h GLN 93 Cb 0.40 -0.08 -0.11 0.00 0.08 0.00 0.00 27.48 27.77 2d9x h GLN 93 CO -0.39 0.23 0.27 1.25 0.09 0.00 0.00 178.83 180.28 2d9x h HIS 94 N 0.35 0.44 0.31 0.06 2.76 -1.49 -0.84 115.15 116.74 2d9x h HIS 94 Ca 0.23 0.04 -0.02 0.00 -2.20 0.00 0.00 60.37 58.43 2d9x h HIS 94 Cb 0.24 -0.07 0.00 0.00 1.55 0.00 0.00 27.41 29.14 2d9x h HIS 94 CO -0.16 -0.05 -0.15 -1.49 -1.30 0.00 0.00 177.93 174.78 2d9x h TRP 95 N 0.35 -0.39 -1.23 5.26 4.06 -0.90 -2.37 115.95 120.73 2d9x h TRP 95 Ca 0.47 -0.01 0.44 0.00 2.06 0.00 0.00 58.89 61.85 2d9x h TRP 95 Cb 0.82 0.13 -0.14 0.00 -1.00 0.00 0.00 29.16 28.97 2d9x h TRP 95 CO -0.21 -0.24 0.77 0.28 -3.56 0.00 0.00 178.44 175.48 2d9x n VAL 96 N -4.34 -0.27 0.08 1.49 0.31 -0.35 -0.16 118.33 115.10 2d9x n VAL 96 Ca -0.05 1.74 -0.09 0.00 -0.01 0.00 0.00 64.34 65.93 2d9x n VAL 96 Cb 0.17 -2.85 -0.05 0.00 -0.91 0.00 0.00 33.84 30.19 2d9x n VAL 96 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 2d9x h SER 97 N 0.00 -0.25 -0.31 4.52 0.02 -1.19 -1.93 113.55 114.41 2d9x h SER 97 Ca 0.82 -0.20 0.07 0.00 -0.84 0.00 0.00 61.79 61.64 2d9x h SER 97 Cb 2.57 0.07 -0.07 0.00 0.14 0.00 0.00 62.40 65.10 2d9x h SER 97 CO -0.50 0.27 -0.13 0.03 -1.14 0.00 0.00 176.83 175.36 2d9x h ARG 98 N -0.99 -0.07 -0.46 3.45 2.47 0.01 0.11 114.38 118.90 2d9x h ARG 98 Ca -0.03 0.01 0.01 0.00 -1.26 0.00 0.00 59.98 58.70 2d9x h ARG 98 Cb 0.43 0.02 -0.02 0.00 -1.65 0.00 0.00 29.97 28.75 2d9x h ARG 98 CO 0.05 -0.05 0.30 -0.07 0.56 0.00 0.00 179.97 180.76 2d9x h LEU 99 N -0.08 0.52 -2.02 3.04 3.38 -0.75 0.20 115.31 119.61 2d9x h LEU 99 Ca 0.16 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.11 2d9x h LEU 99 Cb 0.32 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.94 2d9x h LEU 99 CO -0.36 0.37 -0.02 1.56 0.09 0.00 0.00 178.44 180.08 2d9x h GLN 100 N 0.61 0.00 0.03 1.13 4.20 -0.56 0.25 115.11 120.78 2d9x h GLN 100 Ca 0.17 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.79 2d9x h GLN 100 Cb -0.06 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.72 2d9x h GLN 100 CO -0.05 0.02 -0.45 0.82 -0.67 0.00 0.00 178.83 178.50 2d9x h ILE 101 N 0.00 1.55 -0.59 2.54 2.04 -0.06 -2.99 117.51 119.99 2d9x h ILE 101 Ca -0.00 -2.36 -0.03 0.00 1.00 0.00 0.00 64.86 63.47 2d9x h ILE 101 Cb 0.04 3.13 -0.03 0.00 -0.74 0.00 0.00 36.82 39.21 2d9x h ILE 101 CO 0.00 0.59 0.25 0.00 0.00 0.00 0.00 178.15 178.99 2d9x h THR 103 N 0.81 1.23 0.05 0.00 1.03 -0.65 -2.56 112.91 112.81 2d9x h THR 103 Ca 0.20 -0.65 -0.00 0.00 -0.01 0.00 0.00 66.41 65.95 2d9x h THR 103 Cb 0.18 0.46 0.00 0.00 -1.07 0.00 0.00 68.15 67.71 2d9x h THR 103 CO -0.02 0.27 -0.02 -0.61 -0.01 0.00 0.00 175.52 175.12 2d9x h GLN 104 N 0.90 -0.06 -1.46 0.00 4.15 -1.35 -2.32 115.11 114.96 2d9x h GLN 104 Ca 0.22 0.00 0.42 0.00 0.77 0.00 0.00 58.65 60.07 2d9x h GLN 104 Cb 0.14 0.01 -0.06 0.00 0.21 0.00 0.00 27.48 27.79 2d9x h GLN 104 CO -0.03 -0.04 1.23 1.58 -1.93 0.00 0.00 178.83 179.65 2d9x n HIS 105 N -3.48 0.00 -0.04 3.99 -0.00 0.20 -0.69 115.22 115.19 2d9x n HIS 105 Ca -0.01 0.00 -0.01 0.00 0.46 0.00 0.00 57.72 58.16 2d9x n HIS 105 Cb 0.03 -0.37 -0.00 0.00 -0.12 0.00 0.00 29.99 29.53 2d9x n HIS 105 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 2d9x h HIS 106 N 0.00 0.00 -1.42 1.57 3.86 -1.53 -3.29 115.15 114.34 2d9x h HIS 106 Ca 0.69 0.00 0.41 0.00 -1.16 0.00 0.00 60.37 60.32 2d9x h HIS 106 Cb 3.15 0.00 -0.06 0.00 1.06 0.00 0.00 27.41 31.57 2d9x h HIS 106 CO 0.00 0.00 1.05 0.00 0.86 0.00 0.00 177.93 179.84 2d9x h THR 107 N -0.64 0.26 0.54 2.45 1.03 -0.31 0.23 112.91 116.46 2d9x h THR 107 Ca 0.00 0.00 -0.03 0.00 -0.01 0.00 0.00 66.41 66.37 2d9x h THR 107 Cb 0.16 0.26 0.01 0.00 -1.07 0.00 0.00 68.15 67.51 2d9x h THR 107 CO 0.00 0.00 -0.26 -0.08 -0.01 0.00 0.00 175.52 175.17 2d9x h GLU 108 N 0.00 -0.70 -0.93 0.00 4.81 -1.10 -3.10 114.58 113.56 2d9x h GLU 108 Ca 0.67 0.05 0.37 0.00 -0.13 0.00 0.00 59.36 60.32 2d9x h GLU 108 Cb 2.76 0.16 -0.15 0.00 0.63 0.00 0.00 28.75 32.16 2d9x h GLU 108 CO -0.01 -0.40 0.52 0.00 -0.73 0.00 0.00 179.01 178.40 2d9x n ALA 109 N -2.62 0.94 0.14 2.92 0.00 0.06 0.96 120.51 122.92 2d9x n ALA 109 Ca -0.11 0.85 -0.14 0.00 0.00 0.00 0.00 53.44 54.05 2d9x n ALA 109 Cb 0.32 -0.89 -0.07 0.00 0.00 0.00 0.00 19.45 18.82 2d9x n ALA 109 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2d9x h ILE 110 N 0.00 0.73 -6.36 0.00 2.04 -1.52 -3.44 117.51 108.96 2d9x h ILE 110 Ca 0.74 0.00 -0.45 0.00 1.00 0.00 0.00 64.86 66.15 2d9x h ILE 110 Cb 2.04 0.73 0.03 0.00 -0.74 0.00 0.00 36.82 38.88 2d9x h ILE 110 CO -0.61 0.00 -0.05 0.61 0.00 0.00 0.00 178.15 178.10 2d9x n GLY 111 N -1.24 1.87 2.70 5.37 0.00 0.27 -5.11 105.19 109.05 2d9x n GLY 111 Ca -0.09 -2.21 -0.28 0.00 0.00 0.00 0.00 46.02 43.44 2d9x n GLY 111 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2d9x s LYS 112 N -4.50 0.59 0.02 1.61 0.00 -1.26 -4.86 119.74 111.35 2d9x s LYS 112 Ca 0.57 -0.61 0.05 0.00 0.00 0.00 0.00 55.97 55.98 2d9x s LYS 112 Cb -0.04 -1.94 -0.02 0.00 0.00 0.00 0.00 37.83 35.83 2d9x s LYS 112 CO 0.37 -0.79 -0.14 1.21 0.00 0.00 0.00 175.35 175.99 2d9x s ASN 113 N 1.83 1.71 -0.93 0.03 2.47 -1.26 -5.09 114.94 113.70 2d9x s ASN 113 Ca 0.03 -0.40 -0.21 0.00 0.42 0.00 0.00 52.86 52.70 2d9x s ASN 113 Cb -0.17 -0.14 0.09 0.00 -1.45 0.00 0.00 41.25 39.58 2d9x s ASN 113 CO -0.17 0.08 1.25 0.54 -3.72 0.00 0.00 177.10 175.08 2d9x s ASN 114 N -0.90 6.52 -0.30 -4.21 4.22 -1.26 -4.90 114.94 114.12 2d9x s ASN 114 Ca 0.03 -1.65 -0.05 0.00 -2.14 0.00 0.00 52.86 49.04 2d9x s ASN 114 Cb -0.07 -2.48 0.17 0.00 1.28 0.00 0.00 41.25 40.16 2d9x s ASN 114 CO 0.01 -1.31 0.68 -0.94 -2.04 0.00 0.00 177.10 173.51 2d9x s SER 115 N 4.17 -1.18 -0.02 3.54 1.04 -1.26 -5.17 113.70 114.82 2d9x s SER 115 Ca 0.37 0.98 -0.23 0.00 0.48 0.00 0.00 55.95 57.56 2d9x s SER 115 Cb -0.04 2.09 0.05 0.00 0.10 0.00 0.00 66.02 68.22 2d9x s SER 115 CO -0.07 -0.22 0.49 -0.83 0.98 0.00 0.00 173.24 173.59 2d9x s GLY 116 N 2.85 -0.36 1.18 7.32 0.00 -1.26 -5.17 107.32 111.88 2d9x s GLY 116 Ca 0.11 0.77 -0.18 0.00 0.00 0.00 0.00 44.72 45.42 2d9x s GLY 116 CO -0.19 0.49 1.11 2.56 0.00 0.00 0.00 173.10 177.07 2d9x s PRO 117 N -1.42 -1.06 -0.08 2.90 0.04 -1.26 -5.06 135.00 129.06 2d9x s PRO 117 Ca -0.11 -0.01 0.02 0.00 0.04 0.00 0.00 61.00 60.94 2d9x s PRO 117 Cb -0.02 -1.61 -0.02 0.00 0.04 0.00 0.00 34.50 32.88 2d9x s PRO 117 CO 0.06 -3.62 -0.13 0.45 0.04 0.00 0.00 177.00 173.80 2d9x s SER 118 N -3.85 4.05 0.43 6.66 0.15 -1.26 -5.11 113.70 114.77 2d9x s SER 118 Ca 0.70 -0.24 -0.22 0.00 0.70 0.00 0.00 55.95 56.89 2d9x s SER 118 Cb -0.11 -1.16 -0.09 0.00 -1.71 0.00 0.00 66.02 62.95 2d9x s SER 118 CO 0.56 0.27 1.02 -0.94 1.20 0.00 0.00 173.24 175.36 2d9x s SER 119 N -0.30 6.69 0.00 5.45 1.04 -1.26 -5.32 113.70 120.00 2d9x s SER 119 Ca 0.03 1.93 0.00 0.00 0.48 0.00 0.00 55.95 58.38 2d9x s SER 119 Cb -0.13 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.42 2d9x s SER 119 CO 0.03 -0.53 0.00 0.61 0.98 0.00 0.00 173.24 174.32