#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 5.65 0.30 1.61 0.01 -1.26 -5.09 113.70 114.92 2d9x s SER 2 Ca 0.00 -0.10 -0.02 0.00 1.31 0.00 0.00 55.95 57.13 2d9x s SER 2 Cb 0.00 -2.04 -0.04 0.00 0.21 0.00 0.00 66.02 64.15 2d9x s SER 2 CO 0.00 -0.05 0.53 -0.94 0.41 0.00 0.00 173.24 173.19 2d9x s SER 3 N 1.70 6.38 0.00 2.44 1.04 -1.26 -5.00 113.70 119.00 2d9x s SER 3 Ca 0.07 0.58 0.00 0.00 0.48 0.00 0.00 55.95 57.08 2d9x s SER 3 Cb -0.16 -2.09 0.00 0.00 0.10 0.00 0.00 66.02 63.88 2d9x s SER 3 CO 0.08 -0.22 0.00 0.61 0.98 0.00 0.00 173.24 174.69 2d9x n GLY 4 N -1.21 2.53 2.94 7.32 0.00 -1.26 -5.11 105.19 110.40 2d9x n GLY 4 Ca -0.03 -1.38 -0.10 0.00 0.00 0.00 0.00 46.02 44.51 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 0.00 0.32 0.14 1.61 0.15 -1.26 -5.04 113.70 109.63 2d9x s SER 5 Ca 0.00 0.28 -0.18 0.00 0.70 0.00 0.00 55.95 56.75 2d9x s SER 5 Cb 0.00 1.04 -0.00 0.00 -1.71 0.00 0.00 66.02 65.34 2d9x s SER 5 CO 0.00 -0.29 1.77 0.77 1.20 0.00 0.00 173.24 176.69 2d9x h SER 6 N 8.20 0.24 -3.36 5.45 4.64 -2.01 -3.46 113.55 123.26 2d9x h SER 6 Ca -0.19 0.01 -0.22 0.00 -0.47 0.00 0.00 61.79 60.92 2d9x h SER 6 Cb 1.15 -0.04 -0.06 0.00 -0.31 0.00 0.00 62.40 63.14 2d9x h SER 6 CO 0.25 0.18 -0.17 0.61 -0.87 0.00 0.00 176.83 176.83 2d9x n GLY 7 N -1.19 2.85 3.17 -0.77 0.00 -1.26 -5.10 105.19 102.89 2d9x n GLY 7 Ca -0.01 -1.64 -0.39 0.00 0.00 0.00 0.00 46.02 43.99 2d9x n GLY 7 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2d9x n GLU 8 N -0.37 2.93 -3.15 1.61 1.02 -1.26 -4.94 120.64 116.48 2d9x n GLU 8 Ca 0.02 -4.48 0.05 0.00 -0.02 0.00 0.00 57.16 52.73 2d9x n GLU 8 Cb 0.37 -2.45 -0.01 0.00 -0.02 0.00 0.00 31.44 29.32 2d9x n GLU 8 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 2d9x s ASN 9 N 0.22 -0.71 -0.22 1.62 3.84 -1.26 -4.24 114.94 114.18 2d9x s ASN 9 Ca 0.29 0.43 -0.17 0.00 0.21 0.00 0.00 52.86 53.62 2d9x s ASN 9 Cb -0.07 1.59 -0.03 0.00 -0.55 0.00 0.00 41.25 42.19 2d9x s ASN 9 CO -0.11 -0.13 0.48 -0.69 -2.79 0.00 0.00 177.10 173.86 2d9x s VAL 10 N 2.93 5.12 0.20 -5.21 1.01 -1.26 -4.94 120.40 118.25 2d9x s VAL 10 Ca 0.06 0.85 -0.01 0.00 0.00 0.00 0.00 61.98 62.88 2d9x s VAL 10 Cb -0.11 -3.80 -0.04 0.00 0.00 0.00 0.00 36.38 32.42 2d9x s VAL 10 CO -0.14 0.16 0.12 -0.72 0.00 0.00 0.00 175.10 174.52 2d9x s TYR 11 N 1.81 1.20 0.00 5.22 -0.85 -1.26 -0.02 117.35 123.45 2d9x s TYR 11 Ca 0.21 -1.33 0.00 0.00 -0.52 0.00 0.00 57.07 55.43 2d9x s TYR 11 Cb -0.15 -0.61 0.00 0.00 0.38 0.00 0.00 41.96 41.57 2d9x s TYR 11 CO 0.09 -0.58 0.00 0.41 -1.52 0.00 0.00 175.55 173.96 2d9x n GLY 12 N -0.29 3.93 3.61 5.49 0.00 -0.58 -5.00 105.19 112.35 2d9x n GLY 12 Ca 0.01 -0.36 -0.43 0.00 0.00 0.00 0.00 46.02 45.24 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 -1.26 1.54 0.33 1.61 1.51 -1.26 -2.78 117.35 117.05 2d9x s TYR 13 Ca 0.00 0.46 0.09 0.00 -1.01 0.00 0.00 57.07 56.60 2d9x s TYR 13 Cb 0.00 -4.04 -0.05 0.00 -0.11 0.00 0.00 41.96 37.77 2d9x s TYR 13 CO 0.00 -3.69 0.09 -0.51 -1.11 0.00 0.00 175.55 170.33 2d9x s LEU 14 N 6.91 3.18 -0.28 -1.29 1.43 -0.57 -4.59 118.68 123.47 2d9x s LEU 14 Ca 0.88 -0.82 -0.10 0.00 -1.03 0.00 0.00 54.13 53.05 2d9x s LEU 14 Cb -0.29 -1.63 -0.05 0.00 0.03 0.00 0.00 46.19 44.25 2d9x s LEU 14 CO 0.34 -0.26 0.17 -0.04 0.23 0.00 0.00 176.35 176.80 2d9x s MET 15 N -3.79 3.90 -0.02 1.70 -1.94 -1.20 -2.02 119.30 115.93 2d9x s MET 15 Ca 0.36 -0.35 0.00 0.00 -1.71 0.00 0.00 55.69 54.00 2d9x s MET 15 Cb -0.02 -3.61 -0.04 0.00 2.01 0.00 0.00 34.83 33.17 2d9x s MET 15 CO 0.21 -0.19 0.03 0.21 -0.01 0.00 0.00 175.02 175.28 2d9x s LYS 16 N 1.74 2.91 0.22 2.03 2.20 0.46 -2.74 119.74 126.56 2d9x s LYS 16 Ca 0.07 -0.54 -0.04 0.00 -0.36 0.00 0.00 55.97 55.11 2d9x s LYS 16 Cb -0.16 -2.75 -0.05 0.00 -1.51 0.00 0.00 37.83 33.36 2d9x s LYS 16 CO 0.10 0.65 0.46 -0.47 -0.36 0.00 0.00 175.35 175.72 2d9x s TYR 17 N -1.09 3.47 0.04 4.03 6.14 -1.17 0.12 117.35 128.89 2d9x s TYR 17 Ca 0.20 0.53 0.00 0.00 0.64 0.00 0.00 57.07 58.43 2d9x s TYR 17 Cb -0.12 -2.00 0.00 0.00 0.42 0.00 0.00 41.96 40.26 2d9x s TYR 17 CO 0.10 0.31 0.00 0.25 0.64 0.00 0.00 175.55 176.85 2d9x n THR 18 N -0.56 0.16 -3.67 4.34 -2.24 -1.21 -4.95 114.28 106.15 2d9x n THR 18 Ca -0.03 0.05 -0.15 0.00 -2.27 0.00 0.00 64.05 61.66 2d9x n THR 18 Cb 0.53 -0.70 -0.08 0.00 -2.10 0.00 0.00 70.33 67.98 2d9x n THR 18 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 2d9x s ASN 19 N -4.80 -0.43 0.11 3.42 0.01 -1.26 -4.98 114.94 107.00 2d9x s ASN 19 Ca 0.00 0.55 -0.21 0.00 -0.71 0.00 0.00 52.86 52.49 2d9x s ASN 19 Cb 0.00 0.58 -0.05 0.00 0.41 0.00 0.00 41.25 42.20 2d9x s ASN 19 CO 0.00 -0.42 1.22 0.18 -1.51 0.00 0.00 177.10 176.56 2d9x n LEU 20 N 1.58 -0.71 -0.40 0.60 4.32 -1.26 0.88 117.00 122.02 2d9x n LEU 20 Ca -0.19 1.38 -0.07 0.00 -0.02 0.00 0.00 56.01 57.12 2d9x n LEU 20 Cb 0.56 -0.25 -0.04 0.00 -1.62 0.00 0.00 43.42 42.07 2d9x n LEU 20 CO 0.19 -1.06 0.51 0.55 -1.22 0.00 0.00 177.39 176.36 2d9x n VAL 21 N -4.59 -0.61 0.02 4.08 3.14 -1.26 -2.82 118.33 116.30 2d9x n VAL 21 Ca 0.01 2.34 -0.01 0.00 -2.96 0.00 0.00 64.34 63.72 2d9x n VAL 21 Cb 0.17 -2.96 -0.00 0.00 -1.06 0.00 0.00 33.84 29.99 2d9x n VAL 21 CO 0.00 0.00 0.00 0.74 -6.46 0.00 0.00 176.83 171.11 2d9x h THR 22 N 0.00 0.00 0.00 1.55 2.02 -1.16 -3.50 112.91 111.82 2d9x h THR 22 Ca 0.23 -0.06 0.00 0.00 0.77 0.00 0.00 66.41 67.35 2d9x h THR 22 Cb 0.47 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.88 2d9x h THR 22 CO -0.94 0.00 0.00 0.61 0.37 0.00 0.00 175.52 175.56 2d9x n GLY 23 N 0.60 -0.46 3.74 2.16 0.00 0.25 -4.97 105.19 106.52 2d9x n GLY 23 Ca -0.01 -1.98 -0.41 0.00 0.00 0.00 0.00 46.02 43.62 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 3.30 0.12 1.61 0.52 -1.26 -3.31 118.94 119.91 2d9x s TRP 24 Ca 0.00 1.29 0.10 0.00 0.02 0.00 0.00 56.10 57.51 2d9x s TRP 24 Cb 0.00 -3.56 -0.04 0.00 -1.15 0.00 0.00 33.47 28.73 2d9x s TRP 24 CO 0.00 -1.68 -0.25 -0.65 0.02 0.00 0.00 176.95 174.39 2d9x s GLN 25 N -0.24 1.32 -0.07 4.98 -1.52 0.12 -4.96 119.66 119.30 2d9x s GLN 25 Ca 0.55 -1.27 -0.16 0.00 -1.95 0.00 0.00 55.36 52.53 2d9x s GLN 25 Cb -0.36 -1.71 -0.05 0.00 -0.22 0.00 0.00 33.01 30.67 2d9x s GLN 25 CO 0.38 0.41 0.42 -0.47 -0.25 0.00 0.00 175.29 175.78 2d9x s TYR 26 N -1.08 3.61 0.35 0.91 5.04 -1.26 -0.40 117.35 124.52 2d9x s TYR 26 Ca 0.11 0.90 -0.14 0.00 -2.44 0.00 0.00 57.07 55.51 2d9x s TYR 26 Cb -0.10 -2.41 0.04 0.00 0.35 0.00 0.00 41.96 39.84 2d9x s TYR 26 CO 0.05 0.40 0.71 1.03 -1.34 0.00 0.00 175.55 176.39 2d9x s ARG 27 N -0.18 2.07 -0.09 4.97 0.52 -0.85 -4.94 118.95 120.45 2d9x s ARG 27 Ca 0.24 -1.42 -0.01 0.00 -0.52 0.00 0.00 55.73 54.02 2d9x s ARG 27 Cb -0.16 0.58 -0.03 0.00 0.52 0.00 0.00 34.95 35.87 2d9x s ARG 27 CO 0.11 -0.95 -0.02 0.12 0.02 0.00 0.00 175.30 174.58 2d9x s PHE 28 N -2.78 3.09 0.06 -0.53 5.36 -0.58 -1.52 117.98 121.08 2d9x s PHE 28 Ca 0.18 0.12 0.07 0.00 -0.96 0.00 0.00 56.93 56.34 2d9x s PHE 28 Cb -0.04 -1.78 -0.03 0.00 -0.34 0.00 0.00 43.02 40.83 2d9x s PHE 28 CO 0.12 0.40 -0.19 -0.06 -1.46 0.00 0.00 175.22 174.03 2d9x s PHE 29 N -0.78 1.68 -0.17 10.12 0.40 -1.12 -0.53 117.98 127.59 2d9x s PHE 29 Ca 0.12 -0.38 -0.04 0.00 -0.60 0.00 0.00 56.93 56.03 2d9x s PHE 29 Cb -0.11 -0.98 0.08 0.00 0.51 0.00 0.00 43.02 42.51 2d9x s PHE 29 CO 0.02 0.11 0.18 0.08 0.70 0.00 0.00 175.22 176.31 2d9x s VAL 30 N -0.91 -0.26 0.37 -0.44 1.01 -1.06 -1.52 120.40 117.59 2d9x s VAL 30 Ca 0.06 -0.01 -0.24 0.00 0.00 0.00 0.00 61.98 61.79 2d9x s VAL 30 Cb -0.09 -0.56 -0.10 0.00 0.00 0.00 0.00 36.38 35.63 2d9x s VAL 30 CO 0.02 -0.13 0.99 -0.22 0.00 0.00 0.00 175.10 175.76 2d9x s LEU 31 N 2.28 4.18 -0.35 3.92 2.96 0.97 -3.71 118.68 128.94 2d9x s LEU 31 Ca 0.05 1.89 -0.07 0.00 -0.22 0.00 0.00 54.13 55.78 2d9x s LEU 31 Cb -0.15 -4.18 0.04 0.00 0.50 0.00 0.00 46.19 42.40 2d9x s LEU 31 CO -0.10 -0.30 0.13 0.20 -1.32 0.00 0.00 176.35 174.96 2d9x s ASN 32 N -1.70 5.42 0.00 3.68 -0.87 -0.91 -4.15 114.94 116.40 2d9x s ASN 32 Ca 0.55 -1.11 0.20 0.00 -1.57 0.00 0.00 52.86 50.93 2d9x s ASN 32 Cb -0.18 -1.91 0.98 0.00 -0.02 0.00 0.00 41.25 40.12 2d9x s ASN 32 CO 0.23 -0.34 1.65 -3.20 -2.57 0.00 0.00 177.10 172.87 2d9x n ASN 33 N 4.85 0.00 0.00 -1.22 4.05 -1.26 -1.04 115.26 120.65 2d9x n ASN 33 Ca -0.12 0.17 0.00 0.00 0.45 0.00 0.00 54.58 55.08 2d9x n ASN 33 Cb 0.45 -0.36 0.00 0.00 1.23 0.00 0.00 39.78 41.10 2d9x n ASN 33 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 177.26 173.59 2d9x n GLU 34 N -1.36 0.00 0.00 1.20 -0.58 -1.26 -4.54 120.64 114.10 2d9x n GLU 34 Ca 0.08 0.00 0.06 0.00 -0.42 0.00 0.00 57.16 56.88 2d9x n GLU 34 Cb 0.19 -0.46 0.34 0.00 -0.57 0.00 0.00 31.44 30.93 2d9x n GLU 34 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2d9x n ALA 35 N -2.43 2.38 -3.62 0.62 0.00 -1.26 -4.85 120.51 111.36 2d9x n ALA 35 Ca 0.00 -0.07 -0.24 0.00 0.00 0.00 0.00 53.44 53.13 2d9x n ALA 35 Cb 0.00 -1.18 -0.04 0.00 0.00 0.00 0.00 19.45 18.23 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 0.45 -0.45 3.63 0.00 0.00 -0.20 -4.90 105.19 103.72 2d9x n GLY 36 Ca 0.09 0.05 -0.33 0.00 0.00 0.00 0.00 46.02 45.83 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 -6.32 3.34 -0.33 0.99 1.43 -1.23 -3.11 118.68 113.44 2d9x s LEU 37 Ca 0.47 -0.05 -0.08 0.00 -1.03 0.00 0.00 54.13 53.44 2d9x s LEU 37 Cb -0.27 -1.87 0.02 0.00 0.03 0.00 0.00 46.19 44.10 2d9x s LEU 37 CO 0.57 0.30 0.12 -0.22 0.23 0.00 0.00 176.35 177.36 2d9x s LEU 38 N -1.33 4.23 0.36 1.79 2.96 -0.29 -2.15 118.68 124.24 2d9x s LEU 38 Ca 0.17 -0.90 0.09 0.00 -0.22 0.00 0.00 54.13 53.26 2d9x s LEU 38 Cb -0.11 -1.92 -0.07 0.00 0.50 0.00 0.00 46.19 44.59 2d9x s LEU 38 CO 0.07 -0.28 -0.05 -1.61 -1.32 0.00 0.00 176.35 173.16 2d9x s GLU 39 N 1.49 1.89 -0.09 1.98 2.02 -1.24 -0.58 118.70 124.17 2d9x s GLU 39 Ca 0.01 -1.96 -0.04 0.00 0.02 0.00 0.00 54.97 53.00 2d9x s GLU 39 Cb -0.18 -1.72 0.05 0.00 0.10 0.00 0.00 34.13 32.38 2d9x s GLU 39 CO 0.04 0.09 0.18 1.52 0.02 0.00 0.00 175.26 177.10 2d9x s TYR 40 N -2.63 -0.23 0.54 1.61 1.13 -1.24 -2.55 117.35 113.99 2d9x s TYR 40 Ca 0.34 0.65 0.05 0.00 -1.41 0.00 0.00 57.07 56.69 2d9x s TYR 40 Cb 0.04 -0.14 0.04 0.00 -1.10 0.00 0.00 41.96 40.80 2d9x s TYR 40 CO 0.17 -0.25 0.36 -0.06 -2.51 0.00 0.00 175.55 173.27 2d9x s PHE 41 N 1.86 1.62 0.19 -3.49 0.08 0.32 -2.56 117.98 116.00 2d9x s PHE 41 Ca -0.02 -0.86 0.03 0.00 0.12 0.00 0.00 56.93 56.19 2d9x s PHE 41 Cb -0.12 -1.87 0.10 0.00 -0.57 0.00 0.00 43.02 40.56 2d9x s PHE 41 CO -0.07 -0.41 1.45 0.28 -0.10 0.00 0.00 175.22 176.38 2d9x h VAL 42 N 0.80 1.44 -1.73 -0.44 2.07 -1.83 -1.55 116.25 115.02 2d9x h VAL 42 Ca -0.37 -2.32 0.14 0.00 0.82 0.00 0.00 66.70 64.98 2d9x h VAL 42 Cb 1.31 2.25 -0.20 0.00 -1.52 0.00 0.00 31.29 33.12 2d9x h VAL 42 CO 0.59 0.68 0.63 0.54 0.02 0.00 0.00 177.57 180.03 2d9x s ASN 43 N -6.92 -0.28 0.59 0.57 2.20 -1.26 -4.19 114.94 105.64 2d9x s ASN 43 Ca -0.04 0.15 0.29 0.00 -0.94 0.00 0.00 52.86 52.33 2d9x s ASN 43 Cb 0.11 0.27 1.39 0.00 -2.00 0.00 0.00 41.25 41.02 2d9x s ASN 43 CO 0.82 -0.38 1.78 -0.33 -2.94 0.00 0.00 177.10 176.05 2d9x h GLU 44 N 2.21 0.00 -0.01 3.55 5.08 -1.95 0.63 114.58 124.09 2d9x h GLU 44 Ca -0.16 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 57.99 2d9x h GLU 44 Cb 1.19 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.44 2d9x h GLU 44 CO 0.28 0.00 -0.89 0.37 -1.00 0.00 0.00 179.01 177.77 2d9x h GLN 45 N 0.00 0.31 -0.97 2.33 5.75 -2.01 -3.15 115.11 117.37 2d9x h GLN 45 Ca 0.31 -0.33 -0.22 0.00 -0.15 0.00 0.00 58.65 58.26 2d9x h GLN 45 Cb 1.63 0.09 -0.13 0.00 1.07 0.00 0.00 27.48 30.14 2d9x h GLN 45 CO -0.00 1.02 0.28 0.43 -2.65 0.00 0.00 178.83 177.90 2d9x n SER 46 N -3.72 3.36 -0.00 -0.69 7.64 0.22 -4.36 113.62 116.07 2d9x n SER 46 Ca -0.05 -2.74 -0.13 0.00 1.01 0.00 0.00 58.87 56.96 2d9x n SER 46 Cb 0.81 -0.66 -0.09 0.00 -1.01 0.00 0.00 64.21 63.26 2d9x n SER 46 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 2d9x h ARG 47 N 0.69 0.01 -0.24 1.43 3.08 -1.49 -2.81 114.38 115.05 2d9x h ARG 47 Ca 0.27 -0.00 0.07 0.00 0.07 0.00 0.00 59.98 60.38 2d9x h ARG 47 Cb 1.82 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.86 2d9x h ARG 47 CO 0.50 0.36 0.29 -0.91 -1.07 0.00 0.00 179.97 179.14 2d9x h ASN 48 N -0.34 0.00 -4.28 7.04 4.21 -1.86 -3.42 115.58 116.93 2d9x h ASN 48 Ca 0.00 0.00 -0.51 0.00 1.21 0.00 0.00 56.30 57.00 2d9x h ASN 48 Cb 0.36 0.00 0.11 0.00 -1.12 0.00 0.00 38.32 37.67 2d9x h ASN 48 CO 0.00 0.00 0.35 -1.58 -1.29 0.00 0.00 177.43 174.91 2d9x s GLN 49 N -4.57 2.61 0.30 0.81 0.74 -1.06 -4.95 119.66 113.54 2d9x s GLN 49 Ca -0.04 1.20 -0.29 0.00 0.05 0.00 0.00 55.36 56.27 2d9x s GLN 49 Cb 0.15 -1.94 -0.12 0.00 1.10 0.00 0.00 33.01 32.20 2d9x s GLN 49 CO 0.52 -1.37 1.44 1.17 -0.55 0.00 0.00 175.29 176.50 2d9x n LYS 50 N -3.02 2.36 -2.19 1.67 3.00 -1.26 -4.92 118.16 113.79 2d9x n LYS 50 Ca 0.09 0.83 -0.42 0.00 -0.00 0.00 0.00 58.31 58.81 2d9x n LYS 50 Cb 0.53 -2.52 -0.03 0.00 0.00 0.00 0.00 35.03 33.01 2d9x n LYS 50 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 2d9x s PRO 51 N -1.10 4.31 0.28 1.64 0.04 -1.26 -4.91 135.00 133.99 2d9x s PRO 51 Ca 0.61 2.03 0.01 0.00 0.04 0.00 0.00 61.00 63.69 2d9x s PRO 51 Cb -0.55 -3.37 0.65 0.00 0.04 0.00 0.00 34.50 31.26 2d9x s PRO 51 CO 0.55 -0.48 1.69 0.00 0.04 0.00 0.00 177.00 178.79 2d9x h ARG 52 N 7.19 0.33 -1.32 4.56 2.47 -1.85 -3.43 114.38 122.33 2d9x h ARG 52 Ca -0.41 -0.02 0.15 0.00 -1.26 0.00 0.00 59.98 58.44 2d9x h ARG 52 Cb 1.20 -0.07 -0.28 0.00 -1.65 0.00 0.00 29.97 29.17 2d9x h ARG 52 CO 0.88 0.22 0.45 0.20 0.56 0.00 0.00 179.97 182.27 2d9x s GLY 53 N -3.76 0.12 0.29 0.04 0.00 -1.26 -5.04 107.32 97.71 2d9x s GLY 53 Ca -0.12 3.30 0.06 0.00 0.00 0.00 0.00 44.72 47.96 2d9x s GLY 53 CO 0.77 2.73 0.40 -0.51 0.00 0.00 0.00 173.10 176.50 2d9x s THR 54 N 1.43 4.53 -0.13 0.90 -4.23 -1.26 -3.60 115.64 113.28 2d9x s THR 54 Ca -0.08 -1.04 -0.06 0.00 -1.18 0.00 0.00 61.69 59.33 2d9x s THR 54 Cb -0.04 -3.57 0.05 0.00 1.34 0.00 0.00 72.50 70.29 2d9x s THR 54 CO -0.14 -0.24 0.29 -0.22 -0.54 0.00 0.00 174.62 173.77 2d9x s LEU 55 N -4.07 0.17 0.13 4.79 2.96 0.25 -4.95 118.68 117.96 2d9x s LEU 55 Ca 0.40 0.63 -0.30 0.00 -0.22 0.00 0.00 54.13 54.63 2d9x s LEU 55 Cb -0.09 0.88 -0.07 0.00 0.50 0.00 0.00 46.19 47.41 2d9x s LEU 55 CO 0.30 -0.18 1.17 -1.10 -1.32 0.00 0.00 176.35 175.21 2d9x s GLN 56 N 1.50 4.50 -0.16 1.98 -0.21 -1.26 -1.14 119.66 124.86 2d9x s GLN 56 Ca -0.08 1.78 0.03 0.00 0.02 0.00 0.00 55.36 57.12 2d9x s GLN 56 Cb -0.10 -3.30 -0.23 0.00 1.00 0.00 0.00 33.01 30.38 2d9x s GLN 56 CO -0.10 -0.11 0.19 1.28 -2.12 0.00 0.00 175.29 174.43 2d9x n LEU 57 N 3.08 2.04 -4.51 2.90 4.77 -1.18 -4.73 117.00 119.36 2d9x n LEU 57 Ca 0.06 0.10 -0.26 0.00 -0.03 0.00 0.00 56.01 55.88 2d9x n LEU 57 Cb 0.46 -0.58 -0.18 0.00 -2.33 0.00 0.00 43.42 40.79 2d9x n LEU 57 CO 0.55 0.75 2.00 0.00 -1.33 0.00 0.00 177.39 179.36 2d9x n ALA 58 N -2.96 0.80 0.00 -1.18 0.00 -1.26 0.16 120.51 116.06 2d9x n ALA 58 Ca -0.34 -0.77 0.00 0.00 0.00 0.00 0.00 53.44 52.33 2d9x n ALA 58 Cb 1.05 -2.54 0.00 0.00 0.00 0.00 0.00 19.45 17.96 2d9x n ALA 58 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2d9x n GLY 59 N 5.96 1.67 3.97 0.00 0.00 -1.20 -4.74 105.19 110.84 2d9x n GLY 59 Ca 0.63 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.46 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 4.27 -0.01 4.61 0.00 0.41 -1.71 121.76 127.33 2d9x s ALA 60 Ca 0.00 -1.60 0.03 0.00 0.00 0.00 0.00 51.96 50.39 2d9x s ALA 60 Cb 0.00 -1.53 -0.01 0.00 0.00 0.00 0.00 23.12 21.58 2d9x s ALA 60 CO 0.00 -0.13 -0.09 0.08 0.00 0.00 0.00 175.76 175.62 2d9x s VAL 61 N -2.28 0.75 -0.22 0.00 1.01 -1.23 -4.81 120.40 113.62 2d9x s VAL 61 Ca 0.48 -0.40 -0.05 0.00 0.00 0.00 0.00 61.98 62.01 2d9x s VAL 61 Cb -0.09 -0.64 -0.02 0.00 0.00 0.00 0.00 36.38 35.64 2d9x s VAL 61 CO 0.31 0.22 -0.01 -0.63 0.00 0.00 0.00 175.10 174.99 2d9x s ILE 62 N -0.14 3.72 -0.40 2.22 1.09 -1.26 -0.26 121.20 126.17 2d9x s ILE 62 Ca 0.02 -0.38 0.02 0.00 -1.10 0.00 0.00 60.65 59.22 2d9x s ILE 62 Cb -0.05 -2.71 0.12 0.00 -1.06 0.00 0.00 42.46 38.77 2d9x s ILE 62 CO -0.00 0.40 0.18 -0.55 -0.10 0.00 0.00 174.94 174.87 2d9x s SER 63 N 1.40 3.98 0.05 3.58 0.15 -1.01 -4.99 113.70 116.86 2d9x s SER 63 Ca 0.05 -2.36 -0.31 0.00 0.70 0.00 0.00 55.95 54.03 2d9x s SER 63 Cb -0.15 -1.15 -0.07 0.00 -1.71 0.00 0.00 66.02 62.95 2d9x s SER 63 CO -0.00 -0.32 1.41 -2.16 1.20 0.00 0.00 173.24 173.37 2d9x s PRO 64 N 0.67 4.30 0.85 5.44 0.04 -1.26 -3.24 135.00 141.79 2d9x s PRO 64 Ca 0.15 2.03 -0.14 0.00 0.04 0.00 0.00 61.00 63.07 2d9x s PRO 64 Cb -0.22 -3.44 0.22 0.00 0.04 0.00 0.00 34.50 31.09 2d9x s PRO 64 CO -0.07 -0.52 0.55 -1.13 0.04 0.00 0.00 177.00 175.87 2d9x n SER 65 N 4.79 -2.94 0.00 6.66 3.41 -1.22 -4.97 113.62 119.34 2d9x n SER 65 Ca 0.13 -0.61 0.00 0.00 -0.26 0.00 0.00 58.87 58.12 2d9x n SER 65 Cb 0.43 -0.60 0.00 0.00 -0.26 0.00 0.00 64.21 63.78 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 -4.57 1.38 -0.09 4.04 2.03 -1.26 -4.90 116.55 113.18 2d9x n ASP 66 Ca 0.08 0.00 -0.04 0.00 0.52 0.00 0.00 54.79 55.35 2d9x n ASP 66 Cb 0.36 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.72 2d9x n ASP 66 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 2d9x h GLU 67 N 0.00 -0.07 -7.57 -0.67 4.81 -2.01 -3.41 114.58 105.67 2d9x h GLU 67 Ca 0.00 0.00 -0.47 0.00 -0.13 0.00 0.00 59.36 58.76 2d9x h GLU 67 Cb 0.43 0.02 0.11 0.00 0.63 0.00 0.00 28.75 29.93 2d9x h GLU 67 CO 0.00 -0.04 0.38 0.34 -0.73 0.00 0.00 179.01 178.95 2d9x s ASP 68 N -3.63 4.32 -0.13 1.04 2.15 -1.26 -5.03 116.67 114.13 2d9x s ASP 68 Ca -0.04 0.88 -0.16 0.00 0.43 0.00 0.00 52.55 53.65 2d9x s ASP 68 Cb 0.03 -1.43 -0.14 0.00 -0.30 0.00 0.00 42.92 41.08 2d9x s ASP 68 CO 0.20 -2.03 0.38 0.28 -0.17 0.00 0.00 175.17 173.83 2d9x h SER 69 N -1.14 0.00 -3.55 -0.34 0.02 -1.96 -3.44 113.55 103.14 2d9x h SER 69 Ca -0.47 -0.52 -0.70 0.00 -0.84 0.00 0.00 61.79 59.25 2d9x h SER 69 Cb 1.32 0.00 -0.29 0.00 0.14 0.00 0.00 62.40 63.57 2d9x h SER 69 CO 0.64 0.84 -0.54 -1.00 -1.14 0.00 0.00 176.83 175.63 2d9x s HIS 70 N -1.98 3.34 -0.14 3.45 3.76 -1.26 -4.74 115.29 117.72 2d9x s HIS 70 Ca -0.12 -1.64 -0.30 0.00 -0.15 0.00 0.00 55.06 52.84 2d9x s HIS 70 Cb -0.01 -2.73 0.12 0.00 1.11 0.00 0.00 32.58 31.07 2d9x s HIS 70 CO 0.39 -0.83 0.96 0.99 -0.85 0.00 0.00 174.74 175.41 2d9x s THR 71 N 1.37 0.00 -0.20 1.30 2.01 -1.26 -4.50 115.64 114.35 2d9x s THR 71 Ca 0.02 0.00 -0.30 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 71.44 2d9x s THR 71 CO 0.01 0.00 1.15 0.72 -0.69 0.00 0.00 174.62 175.81 2d9x s PHE 72 N -1.28 -0.22 -0.03 4.92 -0.12 -1.11 -3.44 117.98 116.69 2d9x s PHE 72 Ca -0.02 0.35 0.06 0.00 -0.05 0.00 0.00 56.93 57.27 2d9x s PHE 72 Cb -0.00 0.48 -0.01 0.00 -0.63 0.00 0.00 43.02 42.85 2d9x s PHE 72 CO 0.02 -0.22 -0.23 0.95 -0.05 0.00 0.00 175.22 175.68 2d9x s THR 73 N -1.32 1.84 -0.72 -4.49 -4.23 -1.20 -2.92 115.64 102.61 2d9x s THR 73 Ca 0.04 -0.98 -0.05 0.00 -1.18 0.00 0.00 61.69 59.52 2d9x s THR 73 Cb -0.01 -1.54 0.18 0.00 1.34 0.00 0.00 72.50 72.48 2d9x s THR 73 CO -0.03 0.52 0.57 -0.69 -0.54 0.00 0.00 174.62 174.45 2d9x s VAL 74 N -0.36 4.23 1.27 2.29 1.01 -1.03 -2.42 120.40 125.39 2d9x s VAL 74 Ca 0.04 -3.02 -0.16 0.00 0.00 0.00 0.00 61.98 58.83 2d9x s VAL 74 Cb -0.11 -3.69 0.32 0.00 0.00 0.00 0.00 36.38 32.90 2d9x s VAL 74 CO 0.01 -0.95 0.99 0.20 0.00 0.00 0.00 175.10 175.35 2d9x s ASN 75 N 0.84 0.15 -0.07 3.32 0.01 0.64 -2.98 114.94 116.84 2d9x s ASN 75 Ca 0.19 1.26 -0.04 0.00 -0.71 0.00 0.00 52.86 53.56 2d9x s ASN 75 Cb -0.16 -1.92 0.03 0.00 0.41 0.00 0.00 41.25 39.62 2d9x s ASN 75 CO -0.06 -4.67 0.17 0.00 -1.51 0.00 0.00 177.10 171.03 2d9x s ALA 76 N -2.39 -0.37 0.10 0.60 0.00 0.14 -3.47 121.76 116.37 2d9x s ALA 76 Ca 0.69 0.68 -0.19 0.00 0.00 0.00 0.00 51.96 53.13 2d9x s ALA 76 Cb -0.21 -0.43 -0.04 0.00 0.00 0.00 0.00 23.12 22.43 2d9x s ALA 76 CO 0.63 -0.14 1.11 0.00 0.00 0.00 0.00 175.76 177.36 2d9x n ALA 77 N 3.83 -0.39 -0.31 0.00 0.00 -0.69 0.46 120.51 123.41 2d9x n ALA 77 Ca -0.22 0.52 0.02 0.00 0.00 0.00 0.00 53.44 53.76 2d9x n ALA 77 Cb 0.54 -0.00 0.09 0.00 0.00 0.00 0.00 19.45 20.08 2d9x n ALA 77 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2d9x h SER 78 N 0.00 -0.98 0.00 0.00 0.87 -1.94 -3.44 113.55 108.06 2d9x h SER 78 Ca 0.10 0.27 0.00 0.00 -1.23 0.00 0.00 61.79 60.93 2d9x h SER 78 Cb 0.25 0.59 0.00 0.00 -0.44 0.00 0.00 62.40 62.80 2d9x h SER 78 CO -0.58 -0.29 0.00 0.61 -0.53 0.00 0.00 176.83 176.04 2d9x n GLY 79 N -1.53 -0.04 2.99 5.77 0.00 0.17 -5.17 105.19 107.38 2d9x n GLY 79 Ca 0.12 -0.16 -0.14 0.00 0.00 0.00 0.00 46.02 45.84 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 0.40 0.02 1.61 2.56 -1.18 -4.94 118.70 117.18 2d9x s GLU 80 Ca 0.00 -0.41 0.08 0.00 0.00 0.00 0.00 54.97 54.64 2d9x s GLU 80 Cb 0.00 -0.27 -0.02 0.00 2.00 0.00 0.00 34.13 35.83 2d9x s GLU 80 CO 0.00 0.06 -0.23 -1.14 -0.56 0.00 0.00 175.26 173.40 2d9x s GLN 81 N -0.75 1.64 -0.13 4.30 0.74 -1.26 0.25 119.66 124.44 2d9x s GLN 81 Ca -0.04 -0.92 0.00 0.00 0.05 0.00 0.00 55.36 54.45 2d9x s GLN 81 Cb -0.05 -1.70 -0.01 0.00 1.10 0.00 0.00 33.01 32.35 2d9x s GLN 81 CO -0.00 0.45 -0.15 0.71 -0.55 0.00 0.00 175.29 175.75 2d9x s TYR 82 N -0.69 2.77 -0.89 1.67 1.51 -1.16 -4.93 117.35 115.63 2d9x s TYR 82 Ca 0.09 -0.79 -0.16 0.00 -1.01 0.00 0.00 57.07 55.20 2d9x s TYR 82 Cb -0.09 -1.84 0.19 0.00 -0.11 0.00 0.00 41.96 40.11 2d9x s TYR 82 CO 0.01 -0.30 0.94 0.21 -1.11 0.00 0.00 175.55 175.30 2d9x s LYS 83 N 0.47 3.65 0.32 -0.62 2.20 -1.26 -2.46 119.74 122.05 2d9x s LYS 83 Ca -0.10 -2.25 0.09 0.00 -0.36 0.00 0.00 55.97 53.35 2d9x s LYS 83 Cb -0.16 -4.64 -0.05 0.00 -1.51 0.00 0.00 37.83 31.47 2d9x s LYS 83 CO 0.05 -1.48 -0.01 -0.51 -0.36 0.00 0.00 175.35 173.03 2d9x s LEU 84 N 1.08 2.96 0.02 5.43 1.43 -1.15 -3.05 118.68 125.40 2d9x s LEU 84 Ca 0.25 -0.96 0.00 0.00 -1.03 0.00 0.00 54.13 52.40 2d9x s LEU 84 Cb -0.08 -1.36 -0.02 0.00 0.03 0.00 0.00 46.19 44.76 2d9x s LEU 84 CO -0.09 -0.18 -0.03 -0.60 0.23 0.00 0.00 176.35 175.68 2d9x s ARG 85 N -3.69 0.29 0.36 1.70 3.52 -1.11 -2.75 118.95 117.28 2d9x s ARG 85 Ca 0.34 -0.49 -0.07 0.00 -0.13 0.00 0.00 55.73 55.38 2d9x s ARG 85 Cb -0.01 -0.01 -0.05 0.00 -1.56 0.00 0.00 34.95 33.31 2d9x s ARG 85 CO 0.19 -0.01 0.66 0.00 -0.81 0.00 0.00 175.30 175.33 2d9x s ALA 86 N -1.08 3.50 0.54 6.12 0.00 -1.26 -3.28 121.76 126.30 2d9x s ALA 86 Ca -0.11 -0.43 0.25 0.00 0.00 0.00 0.00 51.96 51.67 2d9x s ALA 86 Cb -0.08 -2.48 1.41 0.00 0.00 0.00 0.00 23.12 21.98 2d9x s ALA 86 CO -0.01 0.07 2.01 0.00 0.00 0.00 0.00 175.76 177.84 2d9x h THR 87 N 1.11 0.72 -2.35 0.00 1.03 -1.92 -3.45 112.91 108.05 2d9x h THR 87 Ca -0.47 0.00 0.18 0.00 -0.01 0.00 0.00 66.41 66.10 2d9x h THR 87 Cb 1.19 0.76 -0.07 0.00 -1.07 0.00 0.00 68.15 68.96 2d9x h THR 87 CO 0.64 0.00 0.51 1.51 -0.01 0.00 0.00 175.52 178.18 2d9x s ASP 88 N -6.21 -0.13 0.13 0.00 1.47 -1.26 -5.01 116.67 105.66 2d9x s ASP 88 Ca -0.05 -0.47 -0.20 0.00 1.18 0.00 0.00 52.55 53.02 2d9x s ASP 88 Cb 0.19 0.49 -0.03 0.00 -0.34 0.00 0.00 42.92 43.22 2d9x s ASP 88 CO 0.70 -0.91 1.72 0.00 0.68 0.00 0.00 175.17 177.35 2d9x h ALA 89 N 2.00 0.16 -0.06 2.11 0.00 -1.87 0.21 119.26 121.82 2d9x h ALA 89 Ca -0.25 0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.74 2d9x h ALA 89 Cb 1.23 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 19.13 2d9x h ALA 89 CO 0.28 -0.45 0.11 1.57 0.00 0.00 0.00 179.25 180.76 2d9x h LYS 90 N 0.04 0.00 0.03 0.00 2.10 -1.96 -0.83 116.57 115.95 2d9x h LYS 90 Ca 0.09 0.00 -0.31 0.00 -2.00 0.00 0.00 60.65 58.43 2d9x h LYS 90 Cb 0.13 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 31.41 2d9x h LYS 90 CO -0.17 0.00 -1.77 1.49 -2.00 0.00 0.00 179.45 177.00 2d9x h GLU 91 N 0.00 0.07 -0.59 0.07 4.57 -1.48 -3.38 114.58 113.84 2d9x h GLU 91 Ca 0.03 -0.12 0.12 0.00 -1.18 0.00 0.00 59.36 58.21 2d9x h GLU 91 Cb 0.25 0.04 -0.10 0.00 -0.16 0.00 0.00 28.75 28.78 2d9x h GLU 91 CO -0.00 0.69 -0.01 -0.09 -1.18 0.00 0.00 179.01 178.42 2d9x h ARG 92 N 0.02 0.11 -0.35 1.92 2.43 0.85 -1.08 114.38 118.28 2d9x h ARG 92 Ca -0.31 -0.01 0.06 0.00 -0.81 0.00 0.00 59.98 58.91 2d9x h ARG 92 Cb 2.02 -0.02 -0.06 0.00 -0.42 0.00 0.00 29.97 31.49 2d9x h ARG 92 CO 0.08 0.07 -0.02 -0.56 -1.51 0.00 0.00 179.97 178.03 2d9x h GLN 93 N 0.11 0.07 0.02 0.20 3.07 -1.72 0.10 115.11 116.96 2d9x h GLN 93 Ca 0.30 -0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.04 2d9x h GLN 93 Cb 0.48 -0.02 -0.01 0.00 0.08 0.00 0.00 27.48 28.02 2d9x h GLN 93 CO -0.51 0.05 -0.10 1.25 0.09 0.00 0.00 178.83 179.61 2d9x h HIS 94 N 0.07 -0.29 -0.16 0.06 2.76 -1.39 0.70 115.15 116.90 2d9x h HIS 94 Ca 0.17 0.01 0.05 0.00 -2.20 0.00 0.00 60.37 58.40 2d9x h HIS 94 Cb 0.24 0.13 -0.07 0.00 1.55 0.00 0.00 27.41 29.26 2d9x h HIS 94 CO -0.26 -0.11 -0.32 -1.49 -1.30 0.00 0.00 177.93 174.44 2d9x h TRP 95 N -0.14 -0.89 -0.61 5.26 4.06 -1.36 0.58 115.95 122.85 2d9x h TRP 95 Ca -0.00 0.04 0.16 0.00 2.06 0.00 0.00 58.89 61.15 2d9x h TRP 95 Cb 0.14 0.42 -0.03 0.00 -1.00 0.00 0.00 29.16 28.69 2d9x h TRP 95 CO -0.34 -0.40 0.43 0.28 -3.56 0.00 0.00 178.44 174.85 2d9x h VAL 96 N -0.38 0.74 0.00 1.49 2.07 -0.63 -0.89 116.25 118.65 2d9x h VAL 96 Ca 0.10 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 67.59 2d9x h VAL 96 Cb 0.55 0.62 0.00 0.00 -1.52 0.00 0.00 31.29 30.94 2d9x h VAL 96 CO -0.37 0.02 0.00 -0.24 0.02 0.00 0.00 177.57 177.00 2d9x n SER 97 N -4.40 0.00 -0.32 0.57 2.88 0.24 -2.33 113.62 110.26 2d9x n SER 97 Ca 0.11 0.44 0.20 0.00 -1.33 0.00 0.00 58.87 58.29 2d9x n SER 97 Cb 0.61 -0.49 0.37 0.00 -0.75 0.00 0.00 64.21 63.95 2d9x n SER 97 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2d9x n ARG 98 N -2.01 -0.07 -0.04 -1.46 5.12 0.18 0.75 116.66 119.14 2d9x n ARG 98 Ca 0.00 1.37 -0.13 0.00 -1.93 0.00 0.00 57.85 57.16 2d9x n ARG 98 Cb 0.00 -2.26 -0.07 0.00 -1.16 0.00 0.00 32.46 28.96 2d9x n ARG 98 CO 0.00 0.00 0.00 -0.07 -1.93 0.00 0.00 177.63 175.63 2d9x h LEU 99 N 0.00 0.23 -2.51 0.55 3.38 -1.32 -1.15 115.31 114.49 2d9x h LEU 99 Ca 0.65 -0.41 0.02 0.00 0.09 0.00 0.00 57.88 58.22 2d9x h LEU 99 Cb 1.50 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 42.18 2d9x h LEU 99 CO -0.83 0.59 0.12 1.56 0.09 0.00 0.00 178.44 179.98 2d9x h GLN 100 N -0.13 0.00 0.00 1.13 4.20 0.74 0.21 115.11 121.26 2d9x h GLN 100 Ca 0.02 0.00 -0.15 0.00 0.06 0.00 0.00 58.65 58.58 2d9x h GLN 100 Cb 0.51 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.27 2d9x h GLN 100 CO 0.02 0.00 -0.85 0.82 -0.67 0.00 0.00 178.83 178.15 2d9x h ILE 101 N 0.00 1.07 -0.78 2.54 2.04 -0.69 -3.30 117.51 118.39 2d9x h ILE 101 Ca 0.03 -2.12 -0.04 0.00 1.00 0.00 0.00 64.86 63.73 2d9x h ILE 101 Cb 0.27 2.34 -0.04 0.00 -0.74 0.00 0.00 36.82 38.65 2d9x h ILE 101 CO -0.00 0.36 0.35 0.00 0.00 0.00 0.00 178.15 178.86 2d9x h THR 103 N 1.12 1.11 0.00 0.00 1.03 -0.77 -2.42 112.91 112.97 2d9x h THR 103 Ca 0.27 -0.38 -0.00 0.00 -0.01 0.00 0.00 66.41 66.28 2d9x h THR 103 Cb 0.15 -0.11 -0.00 0.00 -1.07 0.00 0.00 68.15 67.12 2d9x h THR 103 CO -0.03 0.20 -0.20 -0.61 -0.01 0.00 0.00 175.52 174.88 2d9x h GLN 104 N 1.12 0.00 -1.70 0.00 4.15 -1.54 -2.88 115.11 114.26 2d9x h GLN 104 Ca 0.39 0.00 0.50 0.00 0.77 0.00 0.00 58.65 60.31 2d9x h GLN 104 Cb 0.10 0.00 -0.07 0.00 0.21 0.00 0.00 27.48 27.71 2d9x h GLN 104 CO -0.15 0.06 1.22 1.58 -1.93 0.00 0.00 178.83 179.60 2d9x n HIS 105 N -4.71 0.04 -0.01 3.99 -0.00 0.12 -0.42 115.22 114.23 2d9x n HIS 105 Ca -0.03 0.04 -0.00 0.00 0.46 0.00 0.00 57.72 58.18 2d9x n HIS 105 Cb 0.12 -0.47 -0.00 0.00 -0.12 0.00 0.00 29.99 29.51 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 -1.81 1.57 3.86 -1.55 -3.34 115.15 113.87 2d9x h HIS 106 Ca 0.82 0.00 0.53 0.00 -1.16 0.00 0.00 60.37 60.56 2d9x h HIS 106 Cb 3.26 0.00 -0.08 0.00 1.06 0.00 0.00 27.41 31.65 2d9x h HIS 106 CO -0.00 0.00 1.29 0.00 0.86 0.00 0.00 177.93 180.08 2d9x h THR 107 N -0.16 0.06 0.06 2.45 1.03 -0.97 0.58 112.91 115.96 2d9x h THR 107 Ca 0.00 -0.00 -0.00 0.00 -0.01 0.00 0.00 66.41 66.39 2d9x h THR 107 Cb 0.05 0.05 0.00 0.00 -1.07 0.00 0.00 68.15 67.19 2d9x h THR 107 CO 0.00 0.00 -0.03 -0.08 -0.01 0.00 0.00 175.52 175.40 2d9x h GLU 108 N 0.01 -0.08 -1.57 0.00 4.81 -0.90 -2.56 114.58 114.29 2d9x h GLU 108 Ca 0.89 0.01 0.47 0.00 -0.13 0.00 0.00 59.36 60.59 2d9x h GLU 108 Cb 3.48 0.02 -0.08 0.00 0.63 0.00 0.00 28.75 32.80 2d9x h GLU 108 CO -0.06 0.02 1.11 0.00 -0.73 0.00 0.00 179.01 179.34 2d9x n ALA 109 N -2.17 1.52 -1.54 2.92 0.00 0.20 -4.20 120.51 117.24 2d9x n ALA 109 Ca -0.08 0.59 -0.39 0.00 0.00 0.00 0.00 53.44 53.56 2d9x n ALA 109 Cb 0.09 -0.95 -0.05 0.00 0.00 0.00 0.00 19.45 18.54 2d9x n ALA 109 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2d9x n ILE 110 N -3.77 0.00 -3.23 0.00 5.41 -0.96 -4.91 119.36 111.90 2d9x n ILE 110 Ca 0.37 -0.60 -0.41 0.00 1.00 0.00 0.00 62.75 63.10 2d9x n ILE 110 Cb 1.63 -2.36 -0.08 0.00 -0.71 0.00 0.00 39.64 38.13 2d9x n ILE 110 CO 0.00 0.00 0.00 -0.83 0.00 0.00 0.00 176.55 175.72 2d9x s GLY 111 N 10.89 1.81 -0.25 7.39 0.00 -1.26 -5.03 107.32 120.87 2d9x s GLY 111 Ca 1.05 -0.95 -0.29 0.00 0.00 0.00 0.00 44.72 44.53 2d9x s GLY 111 CO 0.32 1.29 1.11 0.54 0.00 0.00 0.00 173.10 176.37 2d9x s LYS 112 N 2.42 4.17 -0.11 2.90 1.02 -1.26 -5.02 119.74 123.85 2d9x s LYS 112 Ca 0.20 1.32 -0.01 0.00 0.02 0.00 0.00 55.97 57.49 2d9x s LYS 112 Cb -0.15 -3.71 -0.03 0.00 -0.52 0.00 0.00 37.83 33.42 2d9x s LYS 112 CO 0.13 -0.77 -0.06 1.21 -0.92 0.00 0.00 175.35 174.94 2d9x s ASN 113 N 1.62 4.67 0.11 2.83 2.47 -1.26 -5.03 114.94 120.34 2d9x s ASN 113 Ca 0.47 -0.09 -0.34 0.00 0.42 0.00 0.00 52.86 53.32 2d9x s ASN 113 Cb -0.15 -1.49 -0.14 0.00 -1.45 0.00 0.00 41.25 38.01 2d9x s ASN 113 CO 0.12 0.26 1.55 0.78 -3.72 0.00 0.00 177.10 176.09 2d9x h ASN 114 N 6.01 -1.61 -2.23 -4.21 4.21 -2.07 -3.36 115.58 112.31 2d9x h ASN 114 Ca -0.39 0.17 -0.53 0.00 1.21 0.00 0.00 56.30 56.76 2d9x h ASN 114 Cb 1.19 0.60 -0.02 0.00 -1.12 0.00 0.00 38.32 38.96 2d9x h ASN 114 CO 0.57 -0.55 1.37 -0.55 -1.29 0.00 0.00 177.43 176.98 2d9x s SER 115 N -4.67 5.44 0.07 5.81 0.15 -1.26 -4.96 113.70 114.28 2d9x s SER 115 Ca -0.16 0.95 0.04 0.00 0.70 0.00 0.00 55.95 57.48 2d9x s SER 115 Cb 0.06 -2.52 -0.03 0.00 -1.71 0.00 0.00 66.02 61.82 2d9x s SER 115 CO 0.60 -2.13 -0.12 -0.83 1.20 0.00 0.00 173.24 171.97 2d9x s GLY 116 N 7.80 0.78 0.66 9.45 0.00 -1.26 -5.15 107.32 119.60 2d9x s GLY 116 Ca 0.79 -1.00 -0.15 0.00 0.00 0.00 0.00 44.72 44.36 2d9x s GLY 116 CO 0.28 -1.05 1.11 2.56 0.00 0.00 0.00 173.10 176.00 2d9x s PRO 117 N -1.98 2.80 -0.22 2.90 0.04 -1.26 -5.05 135.00 132.22 2d9x s PRO 117 Ca -0.02 1.39 -0.04 0.00 0.04 0.00 0.00 61.00 62.37 2d9x s PRO 117 Cb -0.08 -1.95 0.07 0.00 0.04 0.00 0.00 34.50 32.58 2d9x s PRO 117 CO 0.01 -1.25 0.09 -1.54 0.04 0.00 0.00 177.00 174.35 2d9x s SER 118 N -2.59 2.85 0.34 6.66 1.04 -1.26 -5.14 113.70 115.61 2d9x s SER 118 Ca 0.67 -0.89 -0.22 0.00 0.48 0.00 0.00 55.95 55.99 2d9x s SER 118 Cb -0.20 -0.35 -0.10 0.00 0.10 0.00 0.00 66.02 65.47 2d9x s SER 118 CO 0.42 -0.37 0.88 -0.94 0.98 0.00 0.00 173.24 174.20 2d9x s SER 119 N 2.06 7.08 0.00 7.02 1.04 -1.26 -5.37 113.70 124.27 2d9x s SER 119 Ca 0.04 1.64 0.00 0.00 0.48 0.00 0.00 55.95 58.11 2d9x s SER 119 Cb -0.16 -2.51 0.00 0.00 0.10 0.00 0.00 66.02 63.45 2d9x s SER 119 CO -0.18 -0.17 0.00 0.61 0.98 0.00 0.00 173.24 174.48