#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2h3x n HIS 12 N 0.00 0.00 0.27 -0.67 -0.00 -1.26 -4.93 115.22 108.63 2h3x n HIS 12 Ca 0.00 0.00 0.16 0.00 -0.00 0.00 0.00 57.72 57.88 2h3x n HIS 12 Cb 0.00 0.00 0.81 0.00 -0.00 0.00 0.00 29.99 30.80 2h3x n HIS 12 CO 0.00 0.00 0.00 -0.84 -0.00 0.00 0.00 176.34 175.50 2h3x h ILE 13 N 0.00 0.00 0.00 3.57 3.07 -2.02 -2.45 117.51 119.68 2h3x h ILE 13 Ca 0.00 -0.09 -0.11 0.00 1.55 0.00 0.00 64.86 66.21 2h3x h ILE 13 Cb 0.00 0.83 -0.02 0.00 -0.27 0.00 0.00 36.82 37.37 2h3x h ILE 13 CO 0.00 0.00 -0.76 0.77 -1.05 0.00 0.00 178.15 177.11 2h3x h SER 14 N 0.00 0.00 0.00 2.16 4.64 -1.97 -3.34 113.55 115.04 2h3x h SER 14 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2h3x h SER 14 Cb 0.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.19 2h3x h SER 14 CO 0.00 0.47 0.00 0.18 -0.87 0.00 0.00 176.83 176.61 2h3x n LEU 15 N -3.09 0.00 -3.63 5.97 4.77 -0.92 -4.62 117.00 115.47 2h3x n LEU 15 Ca -0.01 0.00 -0.24 0.00 -0.03 0.00 0.00 56.01 55.72 2h3x n LEU 15 Cb 0.74 0.00 -0.17 0.00 -2.33 0.00 0.00 43.42 41.66 2h3x n LEU 15 CO 0.41 0.00 -0.34 0.54 -1.33 0.00 0.00 177.39 176.67 2h3x s ASN 16 N -1.52 2.05 0.22 -1.43 4.22 -1.25 -5.04 114.94 112.18 2h3x s ASN 16 Ca 0.12 -0.43 -0.08 0.00 -2.14 0.00 0.00 52.86 50.33 2h3x s ASN 16 Cb 0.06 -0.24 0.33 0.00 1.28 0.00 0.00 41.25 42.68 2h3x s ASN 16 CO 0.09 -0.32 1.73 -0.65 -2.04 0.00 0.00 177.10 175.91 2h3x h PRO 17 N 8.41 0.37 0.00 3.55 0.11 -1.90 -2.17 132.00 140.38 2h3x h PRO 17 Ca -0.14 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.94 2h3x h PRO 17 Cb 1.14 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.17 2h3x h PRO 17 CO 0.26 0.25 0.58 -0.44 -0.21 0.00 0.00 178.00 178.43 2h3x h ASP 18 N 0.38 0.00 0.55 -2.05 3.32 -1.98 0.37 116.42 117.02 2h3x h ASP 18 Ca 0.34 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.39 2h3x h ASP 18 Cb 0.47 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.02 2h3x h ASP 18 CO -0.36 0.00 -1.22 0.18 -1.72 0.00 0.00 179.24 176.12 2h3x n LEU 19 N -2.68 0.57 -4.88 1.55 4.77 -0.82 -4.94 117.00 110.58 2h3x n LEU 19 Ca -0.01 0.11 -0.34 0.00 -0.03 0.00 0.00 56.01 55.74 2h3x n LEU 19 Cb 0.61 -0.06 -0.05 0.00 -2.33 0.00 0.00 43.42 41.58 2h3x n LEU 19 CO 0.08 -0.05 0.05 0.00 -1.33 0.00 0.00 177.39 176.14 2h3x s ALA 20 N -3.33 3.75 0.41 -1.18 0.00 0.13 -5.04 121.76 116.50 2h3x s ALA 20 Ca -0.00 -0.44 -0.24 0.00 0.00 0.00 0.00 51.96 51.28 2h3x s ALA 20 Cb 0.13 -2.22 -0.12 0.00 0.00 0.00 0.00 23.12 20.91 2h3x s ALA 20 CO 0.82 0.60 0.82 -1.71 0.00 0.00 0.00 175.76 176.29 2h3x n ASN 21 N 0.69 0.37 0.19 0.00 5.15 -1.26 -4.78 115.26 115.62 2h3x n ASN 21 Ca -0.07 1.00 0.03 0.00 -0.60 0.00 0.00 54.58 54.94 2h3x n ASN 21 Cb 0.52 -1.25 0.36 0.00 -0.53 0.00 0.00 39.78 38.89 2h3x n ASN 21 CO 0.00 0.00 0.00 -0.33 1.40 0.00 0.00 177.26 178.33 2h3x h GLU 22 N 1.25 0.00 0.00 1.20 5.08 -1.96 -1.39 114.58 118.76 2h3x h GLU 22 Ca -0.42 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 57.94 2h3x h GLU 22 Cb 1.36 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.61 2h3x h GLU 22 CO 0.55 0.39 -0.00 -0.44 -1.00 0.00 0.00 179.01 178.50 2h3x h ASP 23 N 0.00 0.00 0.08 1.42 5.19 -1.97 0.10 116.42 121.25 2h3x h ASP 23 Ca -0.00 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.40 2h3x h ASP 23 Cb 0.73 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.24 2h3x h ASP 23 CO 0.05 0.00 -0.04 -0.08 -3.12 0.00 0.00 179.24 176.06 2h3x h GLU 24 N 0.00 -0.11 0.00 3.56 4.81 -1.60 -3.30 114.58 117.94 2h3x h GLU 24 Ca -0.00 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 2h3x h GLU 24 Cb 0.06 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.46 2h3x h GLU 24 CO 0.00 0.23 0.00 -0.39 -0.73 0.00 0.00 179.01 178.12 2h3x h VAL 25 N -0.99 0.00 -0.22 0.32 -1.51 -1.27 -3.04 116.25 109.54 2h3x h VAL 25 Ca -0.01 -0.61 0.00 0.00 -1.23 0.00 0.00 66.70 64.85 2h3x h VAL 25 Cb 0.39 1.57 0.00 0.00 -2.13 0.00 0.00 31.29 31.12 2h3x h VAL 25 CO 0.02 0.00 0.00 0.59 -1.23 0.00 0.00 177.57 176.95 2h3x n ASN 26 N -2.89 2.08 -4.87 4.19 3.02 0.33 -4.86 115.26 112.25 2h3x n ASN 26 Ca 0.02 -1.79 -0.36 0.00 -0.03 0.00 0.00 54.58 52.42 2h3x n ASN 26 Cb 0.37 -0.14 -0.06 0.00 -0.61 0.00 0.00 39.78 39.34 2h3x n ASN 26 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 2h3x s SER 27 N -1.53 6.53 0.21 6.41 0.15 -1.15 -4.95 113.70 119.38 2h3x s SER 27 Ca 0.33 0.61 0.18 0.00 0.70 0.00 0.00 55.95 57.78 2h3x s SER 27 Cb 0.18 -2.12 0.87 0.00 -1.71 0.00 0.00 66.02 63.24 2h3x s SER 27 CO 0.27 0.32 1.56 0.00 1.20 0.00 0.00 173.24 176.58 2h3x n ASP 29 N -2.05 0.43 -4.62 0.00 8.00 -1.26 -4.72 116.55 112.33 2h3x n ASP 29 Ca 0.01 0.31 -0.47 0.00 0.71 0.00 0.00 54.79 55.34 2h3x n ASP 29 Cb 0.11 -0.31 -0.04 0.00 -0.02 0.00 0.00 41.12 40.86 2h3x n ASP 29 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2h3x n TYR 30 N -1.80 1.74 -0.32 1.24 -0.00 -0.55 -4.83 117.16 112.64 2h3x n TYR 30 Ca 0.06 0.55 0.16 0.00 -0.00 0.00 0.00 57.90 58.66 2h3x n TYR 30 Cb 0.38 -2.37 0.40 0.00 -0.00 0.00 0.00 39.34 37.74 2h3x n TYR 30 CO 0.00 0.00 0.00 0.11 -0.00 0.00 0.00 176.86 176.97 2h3x h TRP 31 N 3.92 0.88 -0.00 2.98 5.08 -1.90 -1.72 115.95 125.19 2h3x h TRP 31 Ca -0.44 0.03 0.00 0.00 1.08 0.00 0.00 58.89 59.56 2h3x h TRP 31 Cb 1.31 -0.26 0.00 0.00 -3.00 0.00 0.00 29.16 27.21 2h3x h TRP 31 CO 0.56 0.19 -0.00 2.89 -1.28 0.00 0.00 178.44 180.79 2h3x n ARG 32 N -4.68 1.19 -0.87 0.12 1.85 -1.26 -3.46 116.66 109.55 2h3x n ARG 32 Ca 0.23 -0.30 0.07 0.00 -1.00 0.00 0.00 57.85 56.84 2h3x n ARG 32 Cb 0.65 -1.49 0.39 0.00 -1.05 0.00 0.00 32.46 30.96 2h3x n ARG 32 CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 2h3x n HIS 33 N -0.64 2.01 0.08 2.89 8.25 -0.65 -4.65 115.22 122.52 2h3x n HIS 33 Ca 0.22 -0.69 0.05 0.00 -0.26 0.00 0.00 57.72 57.04 2h3x n HIS 33 Cb 0.19 -0.50 0.27 0.00 1.12 0.00 0.00 29.99 31.07 2h3x n HIS 33 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2h3x n ALA 35 N -1.63 2.63 -2.45 0.00 0.00 -1.26 -1.01 120.51 116.79 2h3x n ALA 35 Ca -0.01 -2.43 -0.40 0.00 0.00 0.00 0.00 53.44 50.61 2h3x n ALA 35 Cb 0.02 -0.60 -0.05 0.00 0.00 0.00 0.00 19.45 18.82 2h3x n ALA 35 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2h3x s VAL 36 N -0.92 4.79 -0.45 0.00 1.01 -1.02 -4.84 120.40 118.96 2h3x s VAL 36 Ca 0.31 1.59 0.03 0.00 0.00 0.00 0.00 61.98 63.90 2h3x s VAL 36 Cb 0.33 -4.10 0.15 0.00 0.00 0.00 0.00 36.38 32.76 2h3x s VAL 36 CO -0.12 0.35 0.29 -0.62 0.00 0.00 0.00 175.10 175.01 2h3x s ASP 37 N 0.06 3.09 0.00 3.32 2.15 -1.25 -0.85 116.67 123.19 2h3x s ASP 37 Ca 0.38 -2.80 0.00 0.00 0.43 0.00 0.00 52.55 50.56 2h3x s ASP 37 Cb -0.20 -0.83 0.00 0.00 -0.30 0.00 0.00 42.92 41.59 2h3x s ASP 37 CO 0.22 -0.23 0.00 0.61 -0.17 0.00 0.00 175.17 175.60 2h3x n GLY 38 N 3.27 -0.66 3.32 2.66 0.00 -0.74 -5.00 105.19 108.04 2h3x n GLY 38 Ca 0.16 -0.42 -0.32 0.00 0.00 0.00 0.00 46.02 45.45 2h3x n GLY 38 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2h3x s PHE 39 N -4.00 2.55 -0.01 1.61 0.40 -1.26 -0.53 117.98 116.75 2h3x s PHE 39 Ca 0.00 -0.64 -0.30 0.00 -0.60 0.00 0.00 56.93 55.39 2h3x s PHE 39 Cb 0.00 -1.65 -0.06 0.00 0.51 0.00 0.00 43.02 41.81 2h3x s PHE 39 CO 0.00 -0.16 1.57 -0.51 0.70 0.00 0.00 175.22 176.82 2h3x s LEU 40 N -0.13 4.33 0.51 -0.37 1.43 -0.91 0.16 118.68 123.70 2h3x s LEU 40 Ca -0.03 2.26 0.23 0.00 -1.03 0.00 0.00 54.13 55.55 2h3x s LEU 40 Cb -0.14 -3.55 1.36 0.00 0.03 0.00 0.00 46.19 43.89 2h3x s LEU 40 CO 0.04 -0.85 2.08 0.00 0.23 0.00 0.00 176.35 177.85 2h3x n SER 42 N -3.95 0.00 -0.45 0.00 3.41 -1.25 -0.82 113.62 110.56 2h3x n SER 42 Ca -0.02 0.33 0.05 0.00 -0.26 0.00 0.00 58.87 58.97 2h3x n SER 42 Cb 0.20 -0.38 0.06 0.00 -0.26 0.00 0.00 64.21 63.84 2h3x n SER 42 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2h3x n GLY 45 N -1.10 0.71 0.00 0.00 0.00 -1.23 -4.69 105.19 98.88 2h3x n GLY 45 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 2h3x n GLY 45 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2h3x n GLY 46 N -2.09 5.81 1.80 -0.02 0.00 -0.72 -4.31 105.19 105.67 2h3x n GLY 46 Ca 0.00 -1.91 -0.11 0.00 0.00 0.00 0.00 46.02 44.00 2h3x n GLY 46 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2h3x n THR 47 N 0.00 0.00 0.30 2.61 -2.24 -0.47 -4.12 114.28 110.36 2h3x n THR 47 Ca 0.00 -1.37 0.17 0.00 -2.27 0.00 0.00 64.05 60.58 2h3x n THR 47 Cb 0.00 0.68 0.97 0.00 -2.10 0.00 0.00 70.33 69.88 2h3x n THR 47 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 2h3x h THR 48 N 1.60 0.42 0.00 4.28 2.02 -1.93 -2.99 112.91 116.31 2h3x h THR 48 Ca -0.13 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.05 2h3x h THR 48 Cb 0.67 0.99 0.00 0.00 -1.74 0.00 0.00 68.15 68.07 2h3x h THR 48 CO 0.19 0.00 -0.00 0.35 0.37 0.00 0.00 175.52 176.43 2h3x n THR 49 N -3.70 0.66 -4.35 3.16 -2.24 -1.26 -1.55 114.28 105.00 2h3x n THR 49 Ca -0.03 -0.67 -0.21 0.00 -2.27 0.00 0.00 64.05 60.88 2h3x n THR 49 Cb 0.10 0.66 -0.16 0.00 -2.10 0.00 0.00 70.33 68.83 2h3x n THR 49 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2h3x s THR 50 N -0.68 0.76 0.35 4.28 -4.23 -1.13 -5.07 115.64 109.93 2h3x s THR 50 Ca 0.01 -0.31 -0.27 0.00 -1.18 0.00 0.00 61.69 59.94 2h3x s THR 50 Cb 0.00 -0.71 -0.09 0.00 1.34 0.00 0.00 72.50 73.04 2h3x s THR 50 CO 0.00 0.26 1.20 0.00 -0.54 0.00 0.00 174.62 175.53 2h3x s PRO 52 N -1.96 1.69 0.05 0.00 0.02 -1.26 -4.71 135.00 128.82 2h3x s PRO 52 Ca 0.52 1.64 -0.37 0.00 0.02 0.00 0.00 61.00 62.81 2h3x s PRO 52 Cb -0.34 -1.79 -0.16 0.00 0.02 0.00 0.00 34.50 32.23 2h3x s PRO 52 CO 0.44 -2.15 1.46 -2.30 -0.33 0.00 0.00 177.00 174.11 2h3x n PRO 53 N -3.39 1.37 -0.14 5.54 -0.02 -1.26 -1.63 135.00 135.47 2h3x n PRO 53 Ca 0.13 0.50 0.00 0.00 -2.02 0.00 0.00 63.50 62.10 2h3x n PRO 53 Cb 0.51 -2.18 0.00 0.00 -0.02 0.00 0.00 33.50 31.82 2h3x n PRO 53 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2h3x n GLY 54 N 2.97 1.52 3.91 -1.23 0.00 -1.26 -5.04 105.19 106.05 2h3x n GLY 54 Ca 0.19 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.90 2h3x n GLY 54 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2h3x s SER 55 N -3.13 6.31 -0.19 1.61 1.04 -0.65 -4.79 113.70 113.91 2h3x s SER 55 Ca 0.00 0.27 -0.06 0.00 0.48 0.00 0.00 55.95 56.64 2h3x s SER 55 Cb 0.00 -1.94 -0.03 0.00 0.10 0.00 0.00 66.02 64.15 2h3x s SER 55 CO 0.00 0.19 0.02 -0.89 0.98 0.00 0.00 173.24 173.54 2h3x s THR 56 N -1.46 4.24 0.44 2.02 2.01 0.36 -4.74 115.64 118.52 2h3x s THR 56 Ca 0.33 -0.22 -0.25 0.00 0.31 0.00 0.00 61.69 61.85 2h3x s THR 56 Cb -0.13 -2.91 -0.08 0.00 0.01 0.00 0.00 72.50 69.39 2h3x s THR 56 CO 0.25 0.45 1.39 -2.84 -0.69 0.00 0.00 174.62 173.18 2h3x s PRO 57 N 0.68 3.77 0.15 4.92 0.02 -1.26 0.14 135.00 143.41 2h3x s PRO 57 Ca 0.01 2.34 -0.15 0.00 0.02 0.00 0.00 61.00 63.22 2h3x s PRO 57 Cb -0.14 -2.68 -0.07 0.00 0.02 0.00 0.00 34.50 31.63 2h3x s PRO 57 CO 0.02 -0.72 0.56 -1.54 -0.33 0.00 0.00 177.00 174.99 2h3x s SER 58 N -0.58 6.85 0.27 2.53 1.04 -0.01 -4.83 113.70 118.98 2h3x s SER 58 Ca 0.60 1.11 0.12 0.00 0.48 0.00 0.00 55.95 58.26 2h3x s SER 58 Cb -0.42 -2.30 0.32 0.00 0.10 0.00 0.00 66.02 63.72 2h3x s SER 58 CO 0.54 0.11 1.57 1.55 0.98 0.00 0.00 173.24 177.99 2h3x h PRO 59 N 3.61 0.00 -6.38 4.02 0.13 -1.91 -3.44 132.00 128.03 2h3x h PRO 59 Ca -0.49 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.14 2h3x h PRO 59 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2h3x h PRO 59 CO 0.66 0.62 -0.21 0.96 -0.23 0.00 0.00 178.00 179.79 2h3x s ILE 60 N -3.41 2.24 0.00 -3.56 -4.36 -1.26 -5.11 121.20 105.73 2h3x s ILE 60 Ca -0.00 -1.16 0.00 0.00 -0.26 0.00 0.00 60.65 59.22 2h3x s ILE 60 Cb 0.11 -2.40 0.00 0.00 1.25 0.00 0.00 42.46 41.42 2h3x s ILE 60 CO 0.75 0.00 0.00 -1.54 0.24 0.00 0.00 174.94 174.39 2h3x n SER 61 N -1.97 0.00 -3.73 4.36 3.41 -1.26 -4.47 113.62 109.96 2h3x n SER 61 Ca 0.09 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.58 2h3x n SER 61 Cb 0.62 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.46 2h3x n SER 61 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2h3x s ILE 63 N 1.69 -0.01 0.11 -1.33 -1.09 0.25 -4.84 121.20 115.98 2h3x s ILE 63 Ca 0.00 0.04 0.08 0.00 -2.23 0.00 0.00 60.65 58.54 2h3x s ILE 63 Cb 0.00 -0.53 -0.04 0.00 -1.58 0.00 0.00 42.46 40.31 2h3x s ILE 63 CO 0.00 0.02 -0.21 -0.83 -1.23 0.00 0.00 174.94 172.69 2h3x s GLY 64 N 0.65 1.25 -0.34 6.18 0.00 -0.18 -4.53 107.32 110.35 2h3x s GLY 64 Ca -0.04 -1.27 -0.04 0.00 0.00 0.00 0.00 44.72 43.37 2h3x s GLY 64 CO -0.04 -1.28 0.10 -1.59 0.00 0.00 0.00 173.10 170.29 2h3x s THR 65 N -1.26 3.44 0.10 0.90 2.01 -1.26 0.05 115.64 119.62 2h3x s THR 65 Ca 0.07 -1.41 0.05 0.00 0.31 0.00 0.00 61.69 60.72 2h3x s THR 65 Cb -0.10 -3.04 -0.04 0.00 0.01 0.00 0.00 72.50 69.33 2h3x s THR 65 CO 0.04 -0.27 -0.01 0.00 -0.69 0.00 0.00 174.62 173.70 2h3x s HIS 67 N -1.34 3.32 -0.59 0.00 2.46 -1.26 -0.03 115.29 117.85 2h3x s HIS 67 Ca 0.25 0.37 -0.22 0.00 0.47 0.00 0.00 55.06 55.93 2h3x s HIS 67 Cb -0.11 -2.40 0.06 0.00 -0.13 0.00 0.00 32.58 29.99 2h3x s HIS 67 CO 0.18 -0.01 0.89 1.21 -2.47 0.00 0.00 174.74 174.54 2h3x s ASN 68 N 1.18 6.24 0.00 9.88 3.84 0.32 -4.85 114.94 131.55 2h3x s ASN 68 Ca 0.12 -0.76 0.10 0.00 0.21 0.00 0.00 52.86 52.54 2h3x s ASN 68 Cb -0.14 -2.40 0.43 0.00 -0.55 0.00 0.00 41.25 38.59 2h3x s ASN 68 CO 0.07 -1.26 1.32 -0.81 -2.79 0.00 0.00 177.10 173.63 2h3x n PRO 69 N 7.32 0.00 0.08 0.43 -0.04 -1.26 -0.60 135.00 140.93 2h3x n PRO 69 Ca -0.02 0.32 0.04 0.00 -0.04 0.00 0.00 63.50 63.80 2h3x n PRO 69 Cb 0.46 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.40 2h3x n PRO 69 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2h3x h HIS 70 N 0.00 0.00 0.00 0.54 3.86 -1.94 -3.37 115.15 114.24 2h3x h HIS 70 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2h3x h HIS 70 Cb 0.17 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.64 2h3x h HIS 70 CO 0.00 0.41 0.00 -0.40 0.86 0.00 0.00 177.93 178.80 2h3x n ASP 71 N -2.94 0.83 0.00 2.45 5.75 -1.11 -5.01 116.55 116.51 2h3x n ASP 71 Ca -0.04 -1.21 0.00 0.00 -0.01 0.00 0.00 54.79 53.53 2h3x n ASP 71 Cb 0.74 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.83 2h3x n ASP 71 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2h3x n GLY 72 N -0.11 0.16 3.93 6.12 0.00 0.23 -4.99 105.19 110.53 2h3x n GLY 72 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 2h3x n GLY 72 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2h3x s LYS 73 N -1.31 3.32 -0.12 1.61 1.02 -1.20 -4.87 119.74 118.19 2h3x s LYS 73 Ca 0.00 -0.79 -0.07 0.00 0.02 0.00 0.00 55.97 55.13 2h3x s LYS 73 Cb 0.00 -2.83 -0.04 0.00 -0.52 0.00 0.00 37.83 34.44 2h3x s LYS 73 CO 0.00 0.44 0.12 -0.51 -0.92 0.00 0.00 175.35 174.48 2h3x s ASP 74 N -3.79 6.19 0.11 2.83 1.01 -1.26 -0.52 116.67 121.24 2h3x s ASP 74 Ca 0.34 0.39 0.07 0.00 0.71 0.00 0.00 52.55 54.06 2h3x s ASP 74 Cb -0.09 -1.99 -0.04 0.00 1.01 0.00 0.00 42.92 41.82 2h3x s ASP 74 CO 0.28 0.38 -0.16 -0.31 0.21 0.00 0.00 175.17 175.57 2h3x s TYR 75 N -0.85 1.51 -0.09 4.23 1.51 0.96 -1.80 117.35 122.82 2h3x s TYR 75 Ca 0.14 -0.49 -0.23 0.00 -1.01 0.00 0.00 57.07 55.49 2h3x s TYR 75 Cb -0.12 -0.80 -0.03 0.00 -0.11 0.00 0.00 41.96 40.89 2h3x s TYR 75 CO 0.03 0.16 0.68 -0.51 -1.11 0.00 0.00 175.55 174.80 2h3x s LEU 76 N -2.16 4.29 -0.11 -1.29 1.43 0.80 -0.54 118.68 121.09 2h3x s LEU 76 Ca 0.06 1.11 0.02 0.00 -1.03 0.00 0.00 54.13 54.30 2h3x s LEU 76 Cb -0.08 -3.03 -0.00 0.00 0.03 0.00 0.00 46.19 43.11 2h3x s LEU 76 CO 0.04 -0.14 -0.20 -0.63 0.23 0.00 0.00 176.35 175.65 2h3x s ILE 77 N 0.98 2.43 -0.33 -0.59 -1.09 0.11 -1.42 121.20 121.29 2h3x s ILE 77 Ca 0.35 -0.88 -0.12 0.00 -2.23 0.00 0.00 60.65 57.77 2h3x s ILE 77 Cb -0.17 -1.97 -0.02 0.00 -1.58 0.00 0.00 42.46 38.72 2h3x s ILE 77 CO 0.16 0.55 0.22 -0.55 -1.23 0.00 0.00 174.94 174.09 2h3x s SER 78 N 0.38 5.98 -1.08 3.58 0.15 0.21 -1.01 113.70 121.90 2h3x s SER 78 Ca -0.15 -0.42 -0.14 0.00 0.70 0.00 0.00 55.95 55.94 2h3x s SER 78 Cb -0.17 -2.12 0.20 0.00 -1.71 0.00 0.00 66.02 62.22 2h3x s SER 78 CO 0.07 -0.22 1.21 -0.31 1.20 0.00 0.00 173.24 175.19 2h3x s TYR 79 N 1.71 3.65 0.34 3.44 1.51 -1.26 -1.08 117.35 125.66 2h3x s TYR 79 Ca 0.06 -2.11 -0.18 0.00 -1.01 0.00 0.00 57.07 53.83 2h3x s TYR 79 Cb -0.17 -4.13 -0.10 0.00 -0.11 0.00 0.00 41.96 37.46 2h3x s TYR 79 CO 0.10 -1.25 0.81 -1.01 -1.11 0.00 0.00 175.55 173.09 2h3x s HIS 80 N 0.91 3.41 0.28 2.71 3.76 -1.24 -4.58 115.29 120.53 2h3x s HIS 80 Ca 0.35 1.39 0.06 0.00 -0.15 0.00 0.00 55.06 56.71 2h3x s HIS 80 Cb -0.06 -2.67 -0.03 0.00 1.11 0.00 0.00 32.58 30.94 2h3x s HIS 80 CO -0.05 0.07 0.31 -0.51 -0.85 0.00 0.00 174.74 173.71 2h3x s ASP 81 N -2.13 5.82 -0.15 1.40 1.01 -1.26 -0.82 116.67 120.55 2h3x s ASP 81 Ca 0.55 -0.18 -0.03 0.00 0.71 0.00 0.00 52.55 53.60 2h3x s ASP 81 Cb -0.11 -1.45 -0.03 0.00 1.01 0.00 0.00 42.92 42.34 2h3x s ASP 81 CO 0.17 -0.17 -0.06 0.00 0.21 0.00 0.00 175.17 175.32 2h3x n GLY 84 N -1.15 0.72 3.06 0.00 0.00 -1.04 0.14 105.19 106.91 2h3x n GLY 84 Ca -0.15 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.79 2h3x n GLY 84 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2h3x s LYS 85 N -0.65 0.49 0.87 1.61 1.02 -1.25 -4.96 119.74 116.87 2h3x s LYS 85 Ca 0.00 -0.85 -0.11 0.00 0.02 0.00 0.00 55.97 55.03 2h3x s LYS 85 Cb 0.00 0.18 0.11 0.00 -0.52 0.00 0.00 37.83 37.60 2h3x s LYS 85 CO 0.00 -0.10 1.10 0.95 -0.92 0.00 0.00 175.35 176.38 2h3x s THR 86 N -2.60 2.77 -0.18 2.17 -4.23 -1.26 -3.05 115.64 109.25 2h3x s THR 86 Ca -0.05 0.25 -0.42 0.00 -1.18 0.00 0.00 61.69 60.28 2h3x s THR 86 Cb -0.01 -2.61 -0.20 0.00 1.34 0.00 0.00 72.50 71.02 2h3x s THR 86 CO -0.05 -0.32 1.28 0.00 -0.54 0.00 0.00 174.62 174.99 2h3x n ALA 87 N -3.88 -2.70 -0.06 3.99 0.00 -1.08 -4.55 120.51 112.21 2h3x n ALA 87 Ca 0.09 0.56 -0.05 0.00 0.00 0.00 0.00 53.44 54.04 2h3x n ALA 87 Cb 0.54 -1.83 0.16 0.00 0.00 0.00 0.00 19.45 18.31 2h3x n ALA 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2h3x n GLY 89 N -0.48 0.36 3.43 0.00 0.00 -1.26 -4.99 105.19 102.24 2h3x n GLY 89 Ca 0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.70 2h3x n GLY 89 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2h3x s ARG 90 N -0.79 2.91 -1.06 1.61 0.52 -1.26 -4.73 118.95 116.14 2h3x s ARG 90 Ca 0.00 -0.69 -0.06 0.00 -0.52 0.00 0.00 55.73 54.47 2h3x s ARG 90 Cb 0.00 -2.50 -0.06 0.00 0.52 0.00 0.00 34.95 32.91 2h3x s ARG 90 CO 0.00 0.44 0.92 0.00 0.02 0.00 0.00 175.30 176.68 2h3x s GLN 92 N -4.51 4.39 0.05 0.00 -0.44 -1.26 -2.14 119.66 115.76 2h3x s GLN 92 Ca 0.42 1.94 0.05 0.00 -2.50 0.00 0.00 55.36 55.26 2h3x s GLN 92 Cb -0.06 -3.28 -0.03 0.00 -1.64 0.00 0.00 33.01 28.01 2h3x s GLN 92 CO 0.74 -0.31 -0.13 0.00 0.50 0.00 0.00 175.29 176.09 2h3x n ASN 94 N 1.56 -1.09 -4.58 0.00 5.15 -1.21 -1.78 115.26 113.31 2h3x n ASN 94 Ca -0.20 -2.49 -0.34 0.00 -0.60 0.00 0.00 54.58 50.96 2h3x n ASN 94 Cb 0.54 -0.08 -0.11 0.00 -0.53 0.00 0.00 39.78 39.60 2h3x n ASN 94 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 2h3x s THR 95 N 0.21 3.65 -0.11 -0.44 2.01 -0.03 -5.01 115.64 115.92 2h3x s THR 95 Ca 0.32 -0.54 0.15 0.00 0.31 0.00 0.00 61.69 61.93 2h3x s THR 95 Cb 0.03 -2.50 0.24 0.00 0.01 0.00 0.00 72.50 70.28 2h3x s THR 95 CO -0.17 0.57 1.13 0.00 -0.69 0.00 0.00 174.62 175.45 2h3x n GLN 96 N 2.12 1.65 -1.66 4.92 1.13 -1.20 -3.21 117.38 121.14 2h3x n GLN 96 Ca -0.17 -2.37 -0.54 0.00 -1.94 0.00 0.00 57.00 51.98 2h3x n GLN 96 Cb 0.53 -1.41 -0.07 0.00 0.11 0.00 0.00 30.24 29.41 2h3x n GLN 96 CO 0.00 0.00 0.00 2.41 -1.44 0.00 0.00 177.06 178.03 2h3x n THR 97 N -1.23 0.37 -1.23 5.09 -1.04 -0.18 -0.56 114.28 115.49 2h3x n THR 97 Ca 0.13 -0.10 -0.08 0.00 -2.04 0.00 0.00 64.05 61.96 2h3x n THR 97 Cb 0.57 -1.47 -0.03 0.00 -1.82 0.00 0.00 70.33 67.57 2h3x n THR 97 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 2h3x n ARG 98 N 6.25 -1.33 -2.59 -2.82 5.12 -1.26 -4.56 116.66 115.47 2h3x n ARG 98 Ca 0.28 0.72 -0.40 0.00 -1.93 0.00 0.00 57.85 56.52 2h3x n ARG 98 Cb 0.19 -4.89 -0.05 0.00 -1.16 0.00 0.00 32.46 26.55 2h3x n ARG 98 CO 0.00 0.00 0.00 -2.00 -1.93 0.00 0.00 177.63 173.70 2h3x s GLU 99 N -2.44 4.71 0.15 5.56 -6.30 0.27 -4.85 118.70 115.80 2h3x s GLU 99 Ca 0.00 1.67 0.06 0.00 -2.50 0.00 0.00 54.97 54.20 2h3x s GLU 99 Cb 0.00 -3.20 -0.04 0.00 0.00 0.00 0.00 34.13 30.89 2h3x s GLU 99 CO 0.00 0.32 -0.14 1.03 0.02 0.00 0.00 175.26 176.49 2h3x s ARG 100 N -1.39 1.13 1.28 4.30 1.81 -0.92 -5.02 118.95 120.13 2h3x s ARG 100 Ca 0.44 -1.38 -0.17 0.00 -1.72 0.00 0.00 55.73 52.89 2h3x s ARG 100 Cb -0.29 -0.96 0.31 0.00 -0.45 0.00 0.00 34.95 33.56 2h3x s ARG 100 CO 0.37 0.17 0.82 -2.30 -0.68 0.00 0.00 175.30 173.68 2h3x n PRO 101 N 0.16 -3.28 0.05 3.54 -0.02 -1.26 -3.36 135.00 130.83 2h3x n PRO 101 Ca -0.12 -0.95 0.19 0.00 -2.02 0.00 0.00 63.50 60.60 2h3x n PRO 101 Cb 0.58 -2.00 0.72 0.00 -0.02 0.00 0.00 33.50 32.78 2h3x n PRO 101 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 2h3x h GLY 102 N -2.99 0.00 1.68 -1.23 0.00 -1.97 -1.31 103.07 97.25 2h3x h GLY 102 Ca -0.53 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.80 2h3x h GLY 102 CO 0.39 0.00 0.00 1.58 0.00 0.00 0.00 176.54 178.51 2h3x n TYR 103 N -4.22 0.00 -3.05 5.60 0.18 -1.26 -0.67 117.16 113.74 2h3x n TYR 103 Ca 0.08 0.00 -0.24 0.00 1.88 0.00 0.00 57.90 59.62 2h3x n TYR 103 Cb 0.55 -0.34 -0.04 0.00 -0.38 0.00 0.00 39.34 39.13 2h3x n TYR 103 CO 0.00 0.00 0.00 0.39 -2.08 0.00 0.00 176.86 175.17 2h3x n GLU 104 N -1.34 2.37 -0.34 -3.48 1.02 -0.49 -5.01 120.64 113.37 2h3x n GLU 104 Ca 0.04 -4.31 0.02 0.00 -0.02 0.00 0.00 57.16 52.89 2h3x n GLU 104 Cb 0.08 -2.03 0.08 0.00 -0.02 0.00 0.00 31.44 29.54 2h3x n GLU 104 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2h3x n PHE 105 N 0.01 0.15 1.63 -0.32 7.35 0.15 -1.49 117.46 124.96 2h3x n PHE 105 Ca 0.29 1.12 0.00 0.00 -0.76 0.00 0.00 57.45 58.10 2h3x n PHE 105 Cb 0.49 -0.92 0.00 0.00 0.35 0.00 0.00 39.48 39.40 2h3x n PHE 105 CO 0.00 0.00 0.00 1.19 -0.76 0.00 0.00 176.76 177.19 2h3x n PHE 106 N -5.41 0.00 -0.11 -5.13 3.01 -1.26 -1.79 117.46 106.77 2h3x n PHE 106 Ca 0.12 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.58 2h3x n PHE 106 Cb 0.40 -0.01 0.00 0.00 -0.01 0.00 0.00 39.48 39.86 2h3x n PHE 106 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 2h3x n LEU 107 N -0.43 1.28 -4.71 4.37 4.77 -0.55 0.86 117.00 122.59 2h3x n LEU 107 Ca 0.00 -1.28 -0.36 0.00 -0.03 0.00 0.00 56.01 54.34 2h3x n LEU 107 Cb 0.03 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.04 2h3x n LEU 107 CO 0.00 0.32 -0.09 -2.28 -1.33 0.00 0.00 177.39 174.01 2h3x s HIS 108 N -0.39 3.40 -0.30 -1.77 2.46 -0.74 -2.17 115.29 115.78 2h3x s HIS 108 Ca 0.00 0.43 0.09 0.00 0.47 0.00 0.00 55.06 56.05 2h3x s HIS 108 Cb 0.00 -2.29 0.51 0.00 -0.13 0.00 0.00 32.58 30.67 2h3x s HIS 108 CO 0.00 0.19 1.47 0.27 -2.47 0.00 0.00 174.74 174.20 2h3x n ASN 109 N 3.80 2.44 -0.90 9.88 0.23 -1.26 -4.49 115.26 124.95 2h3x n ASN 109 Ca -0.13 -3.80 0.08 0.00 -0.53 0.00 0.00 54.58 50.19 2h3x n ASN 109 Cb 0.52 -0.64 0.24 0.00 -2.08 0.00 0.00 39.78 37.82 2h3x n ASN 109 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 2h3x n ASP 110 N -1.13 3.77 -4.06 0.53 8.00 -1.26 -4.74 116.55 117.66 2h3x n ASP 110 Ca 0.34 -2.75 -0.21 0.00 0.71 0.00 0.00 54.79 52.87 2h3x n ASP 110 Cb 1.04 -0.48 -0.15 0.00 -0.02 0.00 0.00 41.12 41.51 2h3x n ASP 110 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 2h3x s VAL 111 N -2.35 0.96 -0.21 2.53 -7.23 -1.26 -5.10 120.40 107.73 2h3x s VAL 111 Ca 0.38 -0.50 -0.29 0.00 -1.81 0.00 0.00 61.98 59.77 2h3x s VAL 111 Cb 0.29 -0.81 -0.04 0.00 0.56 0.00 0.00 36.38 36.38 2h3x s VAL 111 CO 0.11 0.28 1.81 0.21 -0.31 0.00 0.00 175.10 177.20 2h3x s ASN 112 N -0.13 6.11 0.00 4.85 2.47 -1.26 -4.86 114.94 122.11 2h3x s ASN 112 Ca 0.02 1.72 0.00 0.00 0.42 0.00 0.00 52.86 55.02 2h3x s ASN 112 Cb -0.06 -2.53 0.02 0.00 -1.45 0.00 0.00 41.25 37.23 2h3x s ASN 112 CO 0.00 -1.47 0.85 0.79 -3.72 0.00 0.00 177.10 173.56 2h3x n TRP 113 N 9.36 0.00 1.14 0.43 7.02 -1.26 -2.05 117.44 132.08 2h3x n TRP 113 Ca 0.22 0.00 0.12 0.00 -1.02 0.00 0.00 57.50 56.82 2h3x n TRP 113 Cb 0.45 0.00 0.22 0.00 -2.42 0.00 0.00 31.31 29.56 2h3x n TRP 113 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2h3x h MET 115 N 3.69 0.08 -0.02 0.00 -0.00 -1.67 -1.41 114.93 115.60 2h3x h MET 115 Ca 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 2h3x h MET 115 Cb 0.82 -0.02 0.00 0.00 -0.00 0.00 0.00 31.60 32.40 2h3x h MET 115 CO 0.00 0.05 -0.17 0.00 -0.00 0.00 0.00 176.91 176.79 2h3x n ALA 116 N -2.69 2.87 -1.37 -3.00 0.00 -1.26 -4.86 120.51 110.19 2h3x n ALA 116 Ca 0.22 -0.62 -0.31 0.00 0.00 0.00 0.00 53.44 52.73 2h3x n ALA 116 Cb 1.05 -0.87 0.08 0.00 0.00 0.00 0.00 19.45 19.71 2h3x n ALA 116 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2h3x s ASN 117 N -2.19 4.78 0.37 0.00 0.02 -0.53 -4.91 114.94 112.49 2h3x s ASN 117 Ca 0.26 1.73 0.14 0.00 -1.02 0.00 0.00 52.86 53.97 2h3x s ASN 117 Cb 0.19 -2.49 0.98 0.00 0.02 0.00 0.00 41.25 39.96 2h3x s ASN 117 CO 0.41 -1.84 1.80 -0.08 0.02 0.00 0.00 177.10 177.41 2h3x h GLU 118 N -1.00 0.50 -3.84 -0.60 4.81 -1.94 -3.34 114.58 109.18 2h3x h GLU 118 Ca -0.44 -0.03 -0.45 0.00 -0.13 0.00 0.00 59.36 58.31 2h3x h GLU 118 Cb 1.23 -0.11 -0.37 0.00 0.63 0.00 0.00 28.75 30.12 2h3x h GLU 118 CO 0.54 0.33 -0.77 1.21 -0.73 0.00 0.00 179.01 179.58 2h3x s ASN 119 N -5.44 1.64 0.00 1.04 3.84 -1.26 -5.06 114.94 109.70 2h3x s ASN 119 Ca -0.09 -0.13 0.26 0.00 0.21 0.00 0.00 52.86 53.11 2h3x s ASN 119 Cb 0.24 -0.52 1.31 0.00 -0.55 0.00 0.00 41.25 41.74 2h3x s ASN 119 CO 0.79 -0.17 1.87 -1.54 -2.79 0.00 0.00 177.10 175.27 2h3x n SER 120 N 5.00 0.66 -4.70 -4.21 3.41 -1.26 -3.67 113.62 108.86 2h3x n SER 120 Ca -0.10 -1.34 -0.42 0.00 -0.26 0.00 0.00 58.87 56.75 2h3x n SER 120 Cb 0.50 -0.02 -0.03 0.00 -0.26 0.00 0.00 64.21 64.40 2h3x n SER 120 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2h3x s THR 121 N -1.96 3.58 0.01 6.66 -4.23 -1.26 -4.61 115.64 113.82 2h3x s THR 121 Ca 0.38 1.06 -0.30 0.00 -1.18 0.00 0.00 61.69 61.64 2h3x s THR 121 Cb 0.19 -3.68 -0.05 0.00 1.34 0.00 0.00 72.50 70.30 2h3x s THR 121 CO 0.31 0.04 1.23 0.12 -0.54 0.00 0.00 174.62 175.77 2h3x s PHE 122 N 1.81 3.26 -0.14 3.99 5.36 -1.26 -2.51 117.98 128.50 2h3x s PHE 122 Ca 0.64 1.20 -0.14 0.00 -0.96 0.00 0.00 56.93 57.67 2h3x s PHE 122 Cb -0.33 -3.46 -0.05 0.00 -0.34 0.00 0.00 43.02 38.83 2h3x s PHE 122 CO 0.28 -1.47 -0.28 1.58 -1.46 0.00 0.00 175.22 173.87 2h3x n HIS 123 N 4.59 0.00 -3.78 10.12 -0.00 -0.84 -2.65 115.22 122.65 2h3x n HIS 123 Ca 0.10 0.00 -0.08 0.00 -0.00 0.00 0.00 57.72 57.75 2h3x n HIS 123 Cb 0.46 -0.45 -0.02 0.00 -0.00 0.00 0.00 29.99 29.97 2h3x n HIS 123 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2h3x s THR 125 N -3.86 3.38 0.34 0.00 2.01 0.43 -1.02 115.64 116.92 2h3x s THR 125 Ca 0.09 -0.60 0.08 0.00 0.31 0.00 0.00 61.69 61.57 2h3x s THR 125 Cb -0.05 -2.36 -0.03 0.00 0.01 0.00 0.00 72.50 70.07 2h3x s THR 125 CO 0.03 0.59 0.22 0.42 -0.69 0.00 0.00 174.62 175.19 2h3x s THR 126 N -0.70 3.24 -0.52 -0.82 -4.23 0.00 -1.21 115.64 111.41 2h3x s THR 126 Ca 0.11 -1.54 0.04 0.00 -1.18 0.00 0.00 61.69 59.11 2h3x s THR 126 Cb -0.11 -3.07 0.15 0.00 1.34 0.00 0.00 72.50 70.81 2h3x s THR 126 CO 0.01 -0.17 0.34 -0.44 -0.54 0.00 0.00 174.62 173.82 2h3x s SER 127 N -3.92 3.46 -0.01 3.99 0.01 -0.60 -3.65 113.70 112.98 2h3x s SER 127 Ca 0.39 -3.13 -0.26 0.00 1.31 0.00 0.00 55.95 54.27 2h3x s SER 127 Cb -0.04 -1.08 -0.04 0.00 0.21 0.00 0.00 66.02 65.07 2h3x s SER 127 CO 0.25 -0.18 0.80 -0.69 0.41 0.00 0.00 173.24 173.82 2h3x s VAL 128 N -0.30 4.90 -0.34 3.43 1.01 -0.24 -4.73 120.40 124.14 2h3x s VAL 128 Ca 0.24 1.67 -0.27 0.00 0.00 0.00 0.00 61.98 63.62 2h3x s VAL 128 Cb -0.11 -4.14 0.01 0.00 0.00 0.00 0.00 36.38 32.14 2h3x s VAL 128 CO -0.10 0.26 0.97 -0.22 0.00 0.00 0.00 175.10 176.01 2h3x s LEU 129 N 0.60 3.97 -0.15 3.92 2.96 -1.26 0.68 118.68 129.41 2h3x s LEU 129 Ca 0.42 0.80 -0.15 0.00 -0.22 0.00 0.00 54.13 54.98 2h3x s LEU 129 Cb -0.19 -3.36 -0.12 0.00 0.50 0.00 0.00 46.19 43.01 2h3x s LEU 129 CO 0.22 -0.84 0.22 0.58 -1.32 0.00 0.00 176.35 175.21 2h3x h VAL 130 N 5.75 0.69 0.00 1.68 2.07 -1.61 -3.48 116.25 121.37 2h3x h VAL 130 Ca -0.22 -1.64 0.00 0.00 0.82 0.00 0.00 66.70 65.66 2h3x h VAL 130 Cb 1.07 1.43 0.00 0.00 -1.52 0.00 0.00 31.29 32.27 2h3x h VAL 130 CO 0.99 0.24 0.00 0.61 0.02 0.00 0.00 177.57 179.43 2h3x n GLY 131 N 1.62 -1.68 3.76 2.17 0.00 -1.23 -5.01 105.19 104.81 2h3x n GLY 131 Ca -0.12 -1.17 -0.38 0.00 0.00 0.00 0.00 46.02 44.36 2h3x n GLY 131 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2h3x s LEU 132 N 0.00 3.94 -0.25 0.99 1.43 -1.26 -0.14 118.68 123.39 2h3x s LEU 132 Ca 0.00 2.52 -0.21 0.00 -1.03 0.00 0.00 54.13 55.41 2h3x s LEU 132 Cb 0.00 -4.25 -0.02 0.00 0.03 0.00 0.00 46.19 41.96 2h3x s LEU 132 CO 0.00 -1.21 0.68 0.00 0.23 0.00 0.00 176.35 176.05 2h3x s ALA 133 N -1.43 3.62 0.00 4.21 0.00 -0.74 -4.61 121.76 122.80 2h3x s ALA 133 Ca 0.67 -0.37 0.00 0.00 0.00 0.00 0.00 51.96 52.26 2h3x s ALA 133 Cb -0.34 -3.10 0.00 0.00 0.00 0.00 0.00 23.12 19.68 2h3x s ALA 133 CO 0.41 -0.85 0.00 1.63 0.00 0.00 0.00 175.76 176.95