#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cgh n TYR 32 N 0.00 2.34 -4.13 0.54 9.36 -1.26 -4.99 117.16 119.02 3cgh n TYR 32 Ca 0.00 0.28 -0.32 0.00 3.32 0.00 0.00 57.90 61.19 3cgh n TYR 32 Cb 0.00 -2.54 -0.16 0.00 -0.63 0.00 0.00 39.34 36.01 3cgh n TYR 32 CO 0.00 0.00 0.00 -1.83 0.22 0.00 0.00 176.86 175.25 3cgh s GLU 33 N 0.51 2.75 0.69 2.98 -1.05 -1.26 -5.14 118.70 118.19 3cgh s GLU 33 Ca 0.75 -0.74 -0.17 0.00 -0.15 0.00 0.00 54.97 54.66 3cgh s GLU 33 Cb -0.64 -2.39 0.01 0.00 -0.44 0.00 0.00 34.13 30.67 3cgh s GLU 33 CO 0.41 -0.20 1.25 0.00 0.95 0.00 0.00 175.26 177.67 3cgh s ALA 34 N 1.32 2.24 0.65 -0.84 0.00 -1.26 -5.00 121.76 118.88 3cgh s ALA 34 Ca 0.04 1.05 -0.17 0.00 0.00 0.00 0.00 51.96 52.88 3cgh s ALA 34 Cb -0.13 -3.51 -0.00 0.00 0.00 0.00 0.00 23.12 19.47 3cgh s ALA 34 CO -0.11 -1.73 1.24 -1.25 0.00 0.00 0.00 175.76 173.90 3cgh s PRO 35 N -3.63 2.57 -0.46 0.00 0.05 -1.26 -5.01 135.00 127.27 3cgh s PRO 35 Ca 0.78 1.88 0.06 0.00 0.05 0.00 0.00 61.00 63.78 3cgh s PRO 35 Cb -0.33 -1.87 0.18 0.00 0.05 0.00 0.00 34.50 32.53 3cgh s PRO 35 CO 0.42 -1.53 0.54 -3.47 0.05 0.00 0.00 177.00 173.01 3cgh n ASP 36 N -2.05 -1.89 0.00 6.66 2.03 -1.26 -4.95 116.55 115.09 3cgh n ASP 36 Ca 0.14 -2.66 0.07 0.00 0.52 0.00 0.00 54.79 52.86 3cgh n ASP 36 Cb 0.49 0.56 0.34 0.00 -0.72 0.00 0.00 41.12 41.80 3cgh n ASP 36 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 3cgh n LEU 37 N 2.80 0.00 0.06 -2.67 4.77 -1.26 -0.05 117.00 120.65 3cgh n LEU 37 Ca 0.24 0.31 0.11 0.00 -0.03 0.00 0.00 56.01 56.64 3cgh n LEU 37 Cb 0.52 -0.31 0.03 0.00 -2.33 0.00 0.00 43.42 41.33 3cgh n LEU 37 CO 0.04 -0.17 0.01 -0.24 -1.33 0.00 0.00 177.39 175.70 3cgh n SER 38 N -1.31 0.68 -0.28 -1.43 2.88 -1.26 -3.99 113.62 108.90 3cgh n SER 38 Ca 0.06 0.10 -0.05 0.00 -1.33 0.00 0.00 58.87 57.65 3cgh n SER 38 Cb 0.12 0.63 0.06 0.00 -0.75 0.00 0.00 64.21 64.27 3cgh n SER 38 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3cgh h ALA 39 N 2.26 0.99 -0.39 -1.46 0.00 -0.89 -3.47 119.26 116.29 3cgh h ALA 39 Ca 0.00 -0.13 -0.14 0.00 0.00 0.00 0.00 54.91 54.64 3cgh h ALA 39 Cb 0.87 -0.31 -0.06 0.00 0.00 0.00 0.00 17.79 18.30 3cgh h ALA 39 CO 0.00 0.52 -0.13 -0.25 0.00 0.00 0.00 179.25 179.39 3cgh n ASP 40 N -4.42 -5.27 0.00 0.00 8.00 -1.26 -4.35 116.55 109.25 3cgh n ASP 40 Ca 0.07 0.17 0.00 0.00 0.71 0.00 0.00 54.79 55.74 3cgh n ASP 40 Cb 0.10 -3.66 0.00 0.00 -0.02 0.00 0.00 41.12 37.54 3cgh n ASP 40 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3cgh n GLY 41 N 0.45 -0.24 0.14 0.44 0.00 -1.26 -0.31 105.19 104.41 3cgh n GLY 41 Ca -0.07 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.76 3cgh n GLY 41 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3cgh h TYR 42 N 0.00 0.65 -0.20 1.61 5.03 -1.84 -2.73 116.97 119.50 3cgh h TYR 42 Ca 0.00 -0.39 -0.13 0.00 2.58 0.00 0.00 58.73 60.79 3cgh h TYR 42 Cb 0.00 -0.06 -0.01 0.00 1.55 0.00 0.00 36.73 38.21 3cgh h TYR 42 CO 0.00 1.24 -0.42 0.00 -1.32 0.00 0.00 178.16 177.66 3cgh h ALA 43 N 0.25 0.89 -0.26 1.82 0.00 -0.97 -2.62 119.26 118.38 3cgh h ALA 43 Ca -0.11 -0.44 -0.05 0.00 0.00 0.00 0.00 54.91 54.31 3cgh h ALA 43 Cb 1.48 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.16 3cgh h ALA 43 CO 0.14 0.64 -0.04 1.25 0.00 0.00 0.00 179.25 181.25 3cgh h LEU 44 N 0.40 0.47 -0.49 0.00 5.85 -1.17 -2.62 115.31 117.75 3cgh h LEU 44 Ca 0.03 -0.34 0.02 0.00 0.84 0.00 0.00 57.88 58.42 3cgh h LEU 44 Cb 0.91 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.78 3cgh h LEU 44 CO 0.08 0.71 0.30 1.23 -0.34 0.00 0.00 178.44 180.42 3cgh h GLY 45 N 0.23 0.69 0.70 3.75 0.00 -1.34 -2.60 103.07 104.50 3cgh h GLY 45 Ca 0.07 -0.23 0.03 0.00 0.00 0.00 0.00 47.33 47.20 3cgh h GLY 45 CO 0.02 0.21 -0.03 0.23 0.00 0.00 0.00 176.54 176.97 3cgh h SER 46 N 0.61 -0.12 0.00 0.19 0.87 -1.42 -1.06 113.55 112.61 3cgh h SER 46 Ca 0.19 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.80 3cgh h SER 46 Cb -0.01 0.09 0.00 0.00 -0.44 0.00 0.00 62.40 62.04 3cgh h SER 46 CO -0.07 -0.04 0.00 0.00 -0.53 0.00 0.00 176.83 176.19 3cgh n ALA 47 N -2.32 1.17 0.00 6.23 0.00 -0.98 -1.11 120.51 123.50 3cgh n ALA 47 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.41 3cgh n ALA 47 Cb 0.10 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.55 3cgh n ALA 47 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3cgh n ASN 49 N 0.54 0.00 -0.27 0.00 3.02 -0.40 -1.40 115.26 116.75 3cgh n ASN 49 Ca 0.00 0.00 -0.06 0.00 -0.03 0.00 0.00 54.58 54.49 3cgh n ASN 49 Cb 0.02 0.00 0.05 0.00 -0.61 0.00 0.00 39.78 39.24 3cgh n ASN 49 CO 0.00 0.00 0.00 0.78 -2.62 0.00 0.00 177.26 175.42 3cgh h ASN 50 N 0.00 1.00 -0.39 6.41 2.35 -1.35 -2.79 115.58 120.81 3cgh h ASN 50 Ca 0.00 -0.16 -0.00 0.00 -0.55 0.00 0.00 56.30 55.59 3cgh h ASN 50 Cb 0.00 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.09 3cgh h ASN 50 CO 0.00 0.88 0.23 -0.07 -1.65 0.00 0.00 177.43 176.82 3cgh h LEU 51 N 1.05 0.48 -2.04 1.61 3.38 -1.49 -2.45 115.31 115.85 3cgh h LEU 51 Ca 0.25 -0.07 0.01 0.00 0.09 0.00 0.00 57.88 58.17 3cgh h LEU 51 Cb 0.18 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 3cgh h LEU 51 CO -0.02 0.40 0.03 0.00 0.09 0.00 0.00 178.44 178.94 3cgh h ALA 52 N 1.09 2.00 0.00 1.53 0.00 -1.80 -0.51 119.26 121.58 3cgh h ALA 52 Ca 0.14 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3cgh h ALA 52 Cb 0.02 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3cgh h ALA 52 CO -0.03 -0.05 0.00 0.41 0.00 0.00 0.00 179.25 179.58 3cgh n GLY 53 N -1.53 -0.78 0.42 0.00 0.00 -0.92 -3.11 105.19 99.27 3cgh n GLY 53 Ca -0.02 -0.14 0.12 0.00 0.00 0.00 0.00 46.02 45.98 3cgh n GLY 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cgh n VAL 55 N -0.20 0.00 -3.75 0.00 0.31 -1.18 -4.71 118.33 108.80 3cgh n VAL 55 Ca 0.11 0.00 -0.37 0.00 -0.01 0.00 0.00 64.34 64.07 3cgh n VAL 55 Cb 0.43 -0.11 -0.13 0.00 -0.91 0.00 0.00 33.84 33.13 3cgh n VAL 55 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 3cgh s VAL 56 N 0.00 4.14 0.31 2.52 1.01 -1.26 -4.96 120.40 122.16 3cgh s VAL 56 Ca 0.00 -0.46 -0.29 0.00 0.00 0.00 0.00 61.98 61.23 3cgh s VAL 56 Cb 0.00 -3.05 -0.11 0.00 0.00 0.00 0.00 36.38 33.22 3cgh s VAL 56 CO 0.00 0.19 1.50 -0.55 0.00 0.00 0.00 175.10 176.24 3cgh s SER 57 N 1.55 6.46 0.15 3.32 0.15 -1.23 -4.73 113.70 119.39 3cgh s SER 57 Ca 0.04 2.89 0.22 0.00 0.70 0.00 0.00 55.95 59.81 3cgh s SER 57 Cb -0.16 -2.64 0.88 0.00 -1.71 0.00 0.00 66.02 62.39 3cgh s SER 57 CO 0.03 -0.82 1.68 -0.81 1.20 0.00 0.00 173.24 174.52 3cgh n PRO 58 N 1.53 0.13 -2.33 5.44 -0.04 -1.26 -4.38 135.00 134.10 3cgh n PRO 58 Ca 0.05 0.29 -0.43 0.00 -0.04 0.00 0.00 63.50 63.37 3cgh n PRO 58 Cb 0.39 -1.72 -0.02 0.00 -0.04 0.00 0.00 33.50 32.11 3cgh n PRO 58 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 3cgh s ASP 59 N -3.82 6.88 0.17 3.54 2.15 -1.26 -4.62 116.67 119.72 3cgh s ASP 59 Ca 0.07 1.82 -0.15 0.00 0.43 0.00 0.00 52.55 54.73 3cgh s ASP 59 Cb 0.11 -2.54 0.07 0.00 -0.30 0.00 0.00 42.92 40.26 3cgh s ASP 59 CO 0.41 -0.79 1.81 0.58 -0.17 0.00 0.00 175.17 177.01 3cgh h VAL 60 N 5.49 1.06 -0.05 1.11 2.07 -1.88 -1.39 116.25 122.65 3cgh h VAL 60 Ca -0.30 -0.20 -0.13 0.00 0.82 0.00 0.00 66.70 66.90 3cgh h VAL 60 Cb 1.12 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 31.31 3cgh h VAL 60 CO 0.96 0.11 -0.56 0.78 0.02 0.00 0.00 177.57 178.88 3cgh h ASN 61 N 0.58 0.18 0.21 0.57 2.35 -1.92 0.17 115.58 117.72 3cgh h ASN 61 Ca 0.19 -0.10 -0.01 0.00 -0.55 0.00 0.00 56.30 55.83 3cgh h ASN 61 Cb -0.00 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 38.32 3cgh h ASN 61 CO -0.08 0.70 -0.10 0.74 -1.65 0.00 0.00 177.43 177.04 3cgh h THR 62 N 0.13 0.86 -0.52 2.81 2.02 -1.79 -2.29 112.91 114.12 3cgh h THR 62 Ca -0.00 -0.75 0.03 0.00 0.77 0.00 0.00 66.41 66.45 3cgh h THR 62 Cb 1.02 1.28 -0.03 0.00 -1.74 0.00 0.00 68.15 68.68 3cgh h THR 62 CO 0.08 0.16 0.35 0.00 0.37 0.00 0.00 175.52 176.48 3cgh h ALA 63 N -0.03 1.72 -0.28 6.16 0.00 -1.15 -1.13 119.26 124.55 3cgh h ALA 63 Ca -0.03 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.89 3cgh h ALA 63 Cb 0.48 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 3cgh h ALA 63 CO 0.05 0.23 0.07 0.37 0.00 0.00 0.00 179.25 179.97 3cgh h GLN 64 N 0.62 0.18 -0.11 0.00 4.15 -0.45 0.36 115.11 119.87 3cgh h GLN 64 Ca 0.21 -0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.59 3cgh h GLN 64 Cb 0.06 -0.04 -0.00 0.00 0.21 0.00 0.00 27.48 27.71 3cgh h GLN 64 CO -0.05 0.12 -0.03 0.74 -1.93 0.00 0.00 178.83 177.68 3cgh h PHE 65 N 0.19 0.23 0.01 3.99 0.04 -0.78 0.18 116.94 120.79 3cgh h PHE 65 Ca 0.13 -0.05 -0.24 0.00 2.80 0.00 0.00 57.97 60.60 3cgh h PHE 65 Cb 0.11 -0.06 0.01 0.00 2.20 0.00 0.00 35.95 38.21 3cgh h PHE 65 CO -0.15 0.52 -0.99 1.79 -0.60 0.00 0.00 178.31 178.89 3cgh h THR 66 N -0.12 1.37 0.00 -1.55 1.35 -1.15 -2.66 112.91 110.15 3cgh h THR 66 Ca 0.03 -2.41 -0.07 0.00 -0.55 0.00 0.00 66.41 63.41 3cgh h THR 66 Cb 0.45 2.43 -0.01 0.00 -1.73 0.00 0.00 68.15 69.28 3cgh h THR 66 CO 0.01 0.73 -1.25 0.47 -0.25 0.00 0.00 175.52 175.23 3cgh n ASP 67 N -3.77 4.09 0.03 5.36 9.92 0.07 -2.04 116.55 130.22 3cgh n ASP 67 Ca -0.08 0.00 -0.19 0.00 -0.53 0.00 0.00 54.79 53.98 3cgh n ASP 67 Cb 0.86 0.59 -0.14 0.00 -0.64 0.00 0.00 41.12 41.79 3cgh n ASP 67 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3cgh n LEU 69 N -3.45 0.00 0.00 0.00 4.77 0.52 -4.25 117.00 114.59 3cgh n LEU 69 Ca -0.25 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.73 3cgh n LEU 69 Cb 1.06 0.23 0.00 0.00 -2.33 0.00 0.00 43.42 42.38 3cgh n LEU 69 CO 0.47 0.23 0.00 -0.11 -1.33 0.00 0.00 177.39 176.65 3cgh n LEU 70 N -2.40 0.19 0.03 2.23 0.00 -1.00 -4.44 117.00 111.61 3cgh n LEU 70 Ca -0.17 0.03 -0.12 0.00 0.00 0.00 0.00 56.01 55.75 3cgh n LEU 70 Cb 0.79 -0.23 -0.07 0.00 0.00 0.00 0.00 43.42 43.91 3cgh n LEU 70 CO 0.37 -0.23 0.85 1.23 0.00 0.00 0.00 177.39 179.60 3cgh h GLY 71 N 0.00 0.01 0.37 -3.96 0.00 -1.54 -2.24 103.07 95.70 3cgh h GLY 71 Ca 0.00 -0.00 0.04 0.00 0.00 0.00 0.00 47.33 47.37 3cgh h GLY 71 CO 0.00 0.00 -0.21 -1.33 0.00 0.00 0.00 176.54 175.01 3cgh h GLY 72 N -0.04 -0.19 1.06 4.60 0.00 -1.39 0.98 103.07 108.09 3cgh h GLY 72 Ca 0.00 0.25 -0.14 0.00 0.00 0.00 0.00 47.33 47.44 3cgh h GLY 72 CO -0.00 -0.18 -0.34 -2.55 0.00 0.00 0.00 176.54 173.47 3cgh h PRO 73 N -0.27 0.85 0.00 4.80 0.11 -1.60 -0.63 132.00 135.25 3cgh h PRO 73 Ca 0.10 -0.44 -0.03 0.00 0.11 0.00 0.00 66.00 65.73 3cgh h PRO 73 Cb 0.41 0.01 -0.00 0.00 0.11 0.00 0.00 31.00 31.53 3cgh h PRO 73 CO -0.27 1.08 -0.14 -0.07 -0.21 0.00 0.00 178.00 178.39 3cgh h LEU 74 N 0.64 0.00 -0.56 2.35 3.38 -1.22 -2.25 115.31 117.64 3cgh h LEU 74 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3cgh h LEU 74 Cb 0.93 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.68 3cgh h LEU 74 CO 0.08 0.14 -0.22 0.61 0.09 0.00 0.00 178.44 179.15 3cgh n GLY 75 N -0.22 -0.52 1.56 0.83 0.00 0.32 -4.46 105.19 102.71 3cgh n GLY 75 Ca -0.01 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.60 3cgh n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cgh n GLY 76 N 1.32 0.57 0.13 -0.02 0.00 -0.85 -4.62 105.19 101.72 3cgh n GLY 76 Ca 0.13 -0.34 -0.21 0.00 0.00 0.00 0.00 46.02 45.60 3cgh n GLY 76 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3cgh n TYR 77 N -2.78 0.43 -4.40 1.61 4.01 -0.31 -3.64 117.16 112.08 3cgh n TYR 77 Ca 0.00 0.10 -0.24 0.00 -0.16 0.00 0.00 57.90 57.60 3cgh n TYR 77 Cb 0.00 -1.05 -0.11 0.00 -0.31 0.00 0.00 39.34 37.86 3cgh n TYR 77 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 3cgh s PHE 78 N -2.52 2.12 -0.04 -0.72 0.08 -0.80 -0.97 117.98 115.13 3cgh s PHE 78 Ca -0.31 -0.40 0.03 0.00 0.12 0.00 0.00 56.93 56.37 3cgh s PHE 78 Cb 0.09 -1.02 0.00 0.00 -0.57 0.00 0.00 43.02 41.52 3cgh s PHE 78 CO 0.64 0.48 -0.12 0.00 -0.10 0.00 0.00 175.22 176.12 3cgh s ALA 79 N -2.03 1.13 0.23 5.36 0.00 0.53 -3.55 121.76 123.44 3cgh s ALA 79 Ca 0.21 -0.46 -0.31 0.00 0.00 0.00 0.00 51.96 51.41 3cgh s ALA 79 Cb -0.06 -0.42 -0.10 0.00 0.00 0.00 0.00 23.12 22.54 3cgh s ALA 79 CO 0.10 0.18 1.52 -0.51 0.00 0.00 0.00 175.76 177.05 3cgh s ASP 80 N 0.22 6.56 -0.04 0.00 1.01 -1.26 -1.15 116.67 122.01 3cgh s ASP 80 Ca -0.05 2.73 0.22 0.00 0.71 0.00 0.00 52.55 56.16 3cgh s ASP 80 Cb -0.11 -2.62 0.38 0.00 1.01 0.00 0.00 42.92 41.59 3cgh s ASP 80 CO 0.01 -0.80 1.15 -1.54 0.21 0.00 0.00 175.17 174.21 3cgh n SER 81 N 2.83 0.76 -4.29 0.27 3.41 0.33 -4.87 113.62 112.06 3cgh n SER 81 Ca 0.09 -2.01 -0.36 0.00 -0.26 0.00 0.00 58.87 56.34 3cgh n SER 81 Cb 0.39 -0.22 -0.13 0.00 -0.26 0.00 0.00 64.21 63.98 3cgh n SER 81 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 3cgh s ASN 82 N -2.06 4.69 0.63 4.04 3.84 -1.24 -4.50 114.94 120.34 3cgh s ASN 82 Ca 0.28 -0.69 0.41 0.00 0.21 0.00 0.00 52.86 53.08 3cgh s ASN 82 Cb 0.33 -1.78 2.12 0.00 -0.55 0.00 0.00 41.25 41.37 3cgh s ASN 82 CO -0.13 -0.13 2.26 0.00 -2.79 0.00 0.00 177.10 176.31 3cgh h ALA 83 N 8.13 1.01 0.00 1.71 0.00 -1.80 0.32 119.26 128.63 3cgh h ALA 83 Ca -0.34 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.57 3cgh h ALA 83 Cb 1.13 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.92 3cgh h ALA 83 CO 0.59 0.00 0.00 0.41 0.00 0.00 0.00 179.25 180.25 3cgh n GLY 84 N -0.76 -1.23 3.55 0.00 0.00 -1.26 -4.44 105.19 101.05 3cgh n GLY 84 Ca -0.02 -0.03 -0.43 0.00 0.00 0.00 0.00 46.02 45.53 3cgh n GLY 84 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3cgh s PHE 85 N -3.07 2.95 -0.61 1.61 0.08 0.10 -4.73 117.98 114.32 3cgh s PHE 85 Ca 0.08 -1.72 0.24 0.00 0.12 0.00 0.00 56.93 55.65 3cgh s PHE 85 Cb 0.12 -4.65 0.35 0.00 -0.57 0.00 0.00 43.02 38.28 3cgh s PHE 85 CO 0.38 -1.71 1.34 1.79 -0.10 0.00 0.00 175.22 176.92 3cgh h THR 86 N 5.40 0.00 -3.53 0.64 1.35 -1.85 -3.41 112.91 111.50 3cgh h THR 86 Ca 0.41 -0.55 -0.64 0.00 -0.55 0.00 0.00 66.41 65.08 3cgh h THR 86 Cb 0.88 1.17 -0.37 0.00 -1.73 0.00 0.00 68.15 68.10 3cgh h THR 86 CO 1.40 0.00 -0.81 -1.61 -0.25 0.00 0.00 175.52 174.25 3cgh s GLU 87 N -3.18 2.19 0.12 4.72 2.02 -1.26 -5.00 118.70 118.31 3cgh s GLU 87 Ca 0.06 -1.01 0.01 0.00 0.02 0.00 0.00 54.97 54.05 3cgh s GLU 87 Cb 0.13 -2.60 -0.04 0.00 0.10 0.00 0.00 34.13 31.72 3cgh s GLU 87 CO 0.71 -0.46 -0.03 0.95 0.02 0.00 0.00 175.26 176.46 3cgh s THR 88 N 1.29 0.56 0.14 3.63 -4.23 -1.24 -4.65 115.64 111.14 3cgh s THR 88 Ca -0.03 -1.93 -0.13 0.00 -1.18 0.00 0.00 61.69 58.42 3cgh s THR 88 Cb -0.17 -1.82 -0.00 0.00 1.34 0.00 0.00 72.50 71.84 3cgh s THR 88 CO -0.08 -0.73 1.57 0.40 -0.54 0.00 0.00 174.62 175.24 3cgh h ILE 89 N 2.90 1.27 0.00 2.99 2.04 -1.88 -1.60 117.51 123.23 3cgh h ILE 89 Ca -0.35 -1.12 -0.02 0.00 1.00 0.00 0.00 64.86 64.36 3cgh h ILE 89 Cb 1.18 1.09 -0.00 0.00 -0.74 0.00 0.00 36.82 38.34 3cgh h ILE 89 CO 0.64 0.39 -0.11 0.77 0.00 0.00 0.00 178.15 179.83 3cgh h SER 90 N 0.67 0.00 0.11 1.72 4.64 -1.95 -1.01 113.55 117.72 3cgh h SER 90 Ca 0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 3cgh h SER 90 Cb 0.56 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.65 3cgh h SER 90 CO 0.03 0.11 -0.33 0.59 -0.87 0.00 0.00 176.83 176.36 3cgh n ASN 91 N -3.28 1.55 -0.89 4.97 4.13 -1.24 -4.05 115.26 116.45 3cgh n ASN 91 Ca 0.00 -1.23 -0.09 0.00 1.68 0.00 0.00 54.58 54.94 3cgh n ASN 91 Cb 0.35 0.27 -0.02 0.00 -1.54 0.00 0.00 39.78 38.84 3cgh n ASN 91 CO 0.00 0.00 0.00 0.49 0.28 0.00 0.00 177.26 178.03 3cgh n PHE 92 N -0.27 -0.24 -2.51 3.10 3.72 -0.38 -0.35 117.46 120.53 3cgh n PHE 92 Ca 0.11 0.00 -0.19 0.00 -0.05 0.00 0.00 57.45 57.32 3cgh n PHE 92 Cb 0.41 -2.08 0.01 0.00 -0.94 0.00 0.00 39.48 36.88 3cgh n PHE 92 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 176.76 176.98 3cgh n ASN 93 N 0.37 3.49 -4.77 4.37 6.94 -0.74 -3.66 115.26 121.26 3cgh n ASN 93 Ca -0.10 -3.29 -0.39 0.00 -0.02 0.00 0.00 54.58 50.78 3cgh n ASN 93 Cb 0.45 -0.47 -0.02 0.00 -2.36 0.00 0.00 39.78 37.38 3cgh n ASN 93 CO 0.00 0.00 0.00 -2.16 -1.03 0.00 0.00 177.26 174.07 3cgh s PRO 94 N -3.43 4.10 0.62 -0.53 0.04 -0.68 -3.70 135.00 131.42 3cgh s PRO 94 Ca 0.40 1.89 -0.18 0.00 0.04 0.00 0.00 61.00 63.16 3cgh s PRO 94 Cb 0.41 -2.74 -0.02 0.00 0.04 0.00 0.00 34.50 32.19 3cgh s PRO 94 CO -0.08 -0.29 1.19 0.15 0.04 0.00 0.00 177.00 178.00 3cgh s LYS 95 N -2.21 2.87 0.33 4.56 1.02 -1.26 -4.88 119.74 120.16 3cgh s LYS 95 Ca 0.56 1.75 0.11 0.00 0.02 0.00 0.00 55.97 58.41 3cgh s LYS 95 Cb -0.32 -1.92 0.97 0.00 -0.52 0.00 0.00 37.83 36.04 3cgh s LYS 95 CO 0.41 -1.27 1.69 0.22 -0.92 0.00 0.00 175.35 175.47 3cgh h ASP 96 N 0.65 0.52 0.81 2.83 3.58 -1.99 -1.05 116.42 121.77 3cgh h ASP 96 Ca -0.50 0.17 0.00 0.00 0.42 0.00 0.00 57.03 57.13 3cgh h ASP 96 Cb 1.29 0.11 0.00 0.00 1.72 0.00 0.00 39.33 42.45 3cgh h ASP 96 CO 0.54 -0.05 0.00 -0.90 -2.88 0.00 0.00 179.24 175.95 3cgh n ASP 97 N -5.01 0.59 -0.06 2.28 5.75 -1.26 -1.33 116.55 117.52 3cgh n ASP 97 Ca 0.29 0.63 -0.21 0.00 -0.01 0.00 0.00 54.79 55.49 3cgh n ASP 97 Cb 0.86 -0.76 -0.13 0.00 -1.03 0.00 0.00 41.12 40.07 3cgh n ASP 97 CO 0.00 0.00 0.00 -0.50 -0.11 0.00 0.00 177.20 176.59 3cgh h TRP 98 N 0.00 0.18 0.00 2.11 4.06 -1.57 -3.41 115.95 117.32 3cgh h TRP 98 Ca 0.00 -0.13 -0.05 0.00 2.06 0.00 0.00 58.89 60.77 3cgh h TRP 98 Cb 0.40 -0.01 -0.01 0.00 -1.00 0.00 0.00 29.16 28.55 3cgh h TRP 98 CO 0.00 1.52 -0.25 0.66 -3.56 0.00 0.00 178.44 176.82 3cgh h SER 99 N -0.67 0.00 1.20 -3.49 4.64 -1.16 -3.33 113.55 110.75 3cgh h SER 99 Ca -0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.99 3cgh h SER 99 Cb 1.51 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.60 3cgh h SER 99 CO -0.09 0.25 -0.16 -2.11 -0.87 0.00 0.00 176.83 173.85 3cgh n ARG 100 N -3.23 0.21 -0.14 4.77 1.85 -0.44 -4.56 116.66 115.11 3cgh n ARG 100 Ca 0.02 0.14 -0.04 0.00 -1.00 0.00 0.00 57.85 56.97 3cgh n ARG 100 Cb 0.56 -1.71 0.05 0.00 -1.05 0.00 0.00 32.46 30.31 3cgh n ARG 100 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90 3cgh h VAL 101 N 0.00 0.81 -1.00 8.89 2.07 -1.82 -1.06 116.25 124.15 3cgh h VAL 101 Ca 0.00 -0.10 0.18 0.00 0.82 0.00 0.00 66.70 67.60 3cgh h VAL 101 Cb 0.68 0.50 -0.10 0.00 -1.52 0.00 0.00 31.29 30.85 3cgh h VAL 101 CO 0.00 0.05 0.62 -0.26 0.02 0.00 0.00 177.57 178.00 3cgh h PHE 102 N 0.28 1.05 0.00 1.57 0.04 -1.90 0.80 116.94 118.78 3cgh h PHE 102 Ca 0.22 0.03 -0.23 0.00 2.80 0.00 0.00 57.97 60.79 3cgh h PHE 102 Cb 0.25 -0.32 -0.04 0.00 2.20 0.00 0.00 35.95 38.05 3cgh h PHE 102 CO -0.18 0.27 -1.44 -0.07 -0.60 0.00 0.00 178.31 176.29 3cgh h LEU 103 N 0.78 0.00 0.00 1.54 3.38 -1.58 -3.42 115.31 116.00 3cgh h LEU 103 Ca 0.56 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.53 3cgh h LEU 103 Cb 0.85 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.60 3cgh h LEU 103 CO -0.35 0.85 -1.49 0.29 0.09 0.00 0.00 178.44 177.83 3cgh n LYS 104 N -3.06 0.45 -1.94 1.13 4.76 -0.52 -4.88 118.16 114.10 3cgh n LYS 104 Ca -0.11 -0.10 -0.42 0.00 -2.87 0.00 0.00 58.31 54.81 3cgh n LYS 104 Cb 0.95 -1.26 -0.03 0.00 -1.84 0.00 0.00 35.03 32.85 3cgh n LYS 104 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 3cgh s SER 105 N -3.27 6.60 0.00 4.39 0.15 0.23 -4.87 113.70 116.92 3cgh s SER 105 Ca -0.04 2.53 0.13 0.00 0.70 0.00 0.00 55.95 59.27 3cgh s SER 105 Cb 0.07 -2.58 0.55 0.00 -1.71 0.00 0.00 66.02 62.35 3cgh s SER 105 CO 0.47 -0.85 1.40 -0.90 1.20 0.00 0.00 173.24 174.57 3cgh n ASP 106 N 4.85 0.00 -0.07 5.45 5.68 -1.26 -2.20 116.55 129.00 3cgh n ASP 106 Ca 0.15 0.49 0.14 0.00 -0.50 0.00 0.00 54.79 55.06 3cgh n ASP 106 Cb 0.40 -0.49 0.55 0.00 -1.14 0.00 0.00 41.12 40.44 3cgh n ASP 106 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 3cgh n LYS 107 N -1.49 0.44 0.00 0.11 5.02 -1.26 -3.10 118.16 117.88 3cgh n LYS 107 Ca 0.03 -0.15 0.00 0.00 -2.02 0.00 0.00 58.31 56.17 3cgh n LYS 107 Cb 0.15 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.66 3cgh n LYS 107 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 3cgh n ILE 108 N -1.15 0.00 0.00 -0.18 5.41 -0.93 -4.68 119.36 117.83 3cgh n ILE 108 Ca 0.12 0.00 -0.12 0.00 1.00 0.00 0.00 62.75 63.74 3cgh n ILE 108 Cb 0.30 -0.30 -0.07 0.00 -0.71 0.00 0.00 39.64 38.86 3cgh n ILE 108 CO 0.00 0.00 0.00 0.40 0.00 0.00 0.00 176.55 176.95 3cgh h ILE 109 N 0.00 1.16 -0.51 1.39 2.04 -1.81 0.11 117.51 119.89 3cgh h ILE 109 Ca 0.00 -0.49 -0.03 0.00 1.00 0.00 0.00 64.86 65.35 3cgh h ILE 109 Cb 0.00 1.41 -0.02 0.00 -0.74 0.00 0.00 36.82 37.47 3cgh h ILE 109 CO 0.00 0.13 0.21 -0.65 0.00 0.00 0.00 178.15 177.84 3cgh h PRO 110 N -0.12 0.73 -0.45 2.37 0.11 -1.75 -1.14 132.00 131.76 3cgh h PRO 110 Ca 0.01 -0.10 -0.07 0.00 0.11 0.00 0.00 66.00 65.95 3cgh h PRO 110 Cb 0.20 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 31.16 3cgh h PRO 110 CO -0.00 0.60 -0.01 1.15 -0.21 0.00 0.00 178.00 179.53 3cgh h THR 111 N 0.73 1.26 0.25 -1.15 2.02 -1.43 -1.86 112.91 112.73 3cgh h THR 111 Ca 0.18 -1.06 -0.01 0.00 0.77 0.00 0.00 66.41 66.29 3cgh h THR 111 Cb 0.13 1.05 0.00 0.00 -1.74 0.00 0.00 68.15 67.60 3cgh h THR 111 CO -0.02 0.36 -0.12 0.25 0.37 0.00 0.00 175.52 176.37 3cgh h LEU 112 N 0.64 -0.28 -0.43 2.58 5.85 -0.38 -2.57 115.31 120.73 3cgh h LEU 112 Ca 0.13 -0.11 -0.16 0.00 0.84 0.00 0.00 57.88 58.57 3cgh h LEU 112 Cb 0.51 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.61 3cgh h LEU 112 CO 0.02 -0.05 -0.43 1.88 -0.34 0.00 0.00 178.44 179.53 3cgh h TYR 113 N -0.51 1.03 -0.58 1.25 -1.99 -1.24 0.66 116.97 115.59 3cgh h TYR 113 Ca -0.03 -0.32 -0.06 0.00 2.00 0.00 0.00 58.73 60.31 3cgh h TYR 113 Cb 0.38 -0.21 -0.03 0.00 2.00 0.00 0.00 36.73 38.87 3cgh h TYR 113 CO -0.01 1.12 0.11 0.66 -0.00 0.00 0.00 178.16 180.04 3cgh h SER 114 N 0.68 0.86 0.53 3.88 4.64 -1.36 -0.93 113.55 121.86 3cgh h SER 114 Ca 0.05 -0.18 -0.21 0.00 -0.47 0.00 0.00 61.79 60.98 3cgh h SER 114 Cb 1.01 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 62.86 3cgh h SER 114 CO 0.10 0.86 -0.91 0.78 -0.87 0.00 0.00 176.83 176.79 3cgh h ASN 115 N 0.87 0.32 -0.60 4.97 2.35 -1.18 -2.84 115.58 119.47 3cgh h ASN 115 Ca 0.18 -0.27 0.03 0.00 -0.55 0.00 0.00 56.30 55.70 3cgh h ASN 115 Cb 0.36 -0.10 -0.04 0.00 0.05 0.00 0.00 38.32 38.59 3cgh h ASN 115 CO 0.00 1.08 0.36 -0.07 -1.65 0.00 0.00 177.43 177.15 3cgh h LEU 116 N 0.13 0.57 -0.68 1.61 3.38 -0.44 0.01 115.31 119.90 3cgh h LEU 116 Ca -0.06 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 3cgh h LEU 116 Cb 1.55 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 42.15 3cgh h LEU 116 CO 0.14 0.40 0.41 0.74 0.09 0.00 0.00 178.44 180.22 3cgh h THR 117 N 0.70 1.19 -0.40 0.22 2.02 -1.11 -0.35 112.91 115.19 3cgh h THR 117 Ca 0.24 -0.42 -0.09 0.00 0.77 0.00 0.00 66.41 66.91 3cgh h THR 117 Cb 0.05 0.25 -0.01 0.00 -1.74 0.00 0.00 68.15 66.69 3cgh h THR 117 CO -0.11 0.20 -0.12 1.56 0.37 0.00 0.00 175.52 177.41 3cgh h GLN 118 N 0.92 0.78 -0.42 6.66 1.08 -1.17 -2.58 115.11 120.38 3cgh h GLN 118 Ca 0.24 -0.31 -0.08 0.00 -1.45 0.00 0.00 58.65 57.05 3cgh h GLN 118 Cb -0.04 -0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 27.34 3cgh h GLN 118 CO -0.05 0.93 -0.07 0.28 -0.95 0.00 0.00 178.83 178.97 3cgh h VAL 119 N 0.59 1.25 -0.73 -0.54 2.07 -0.64 -1.04 116.25 117.20 3cgh h VAL 119 Ca 0.10 -1.07 -0.01 0.00 0.82 0.00 0.00 66.70 66.54 3cgh h VAL 119 Cb 0.66 1.00 -0.04 0.00 -1.52 0.00 0.00 31.29 31.39 3cgh h VAL 119 CO 0.04 0.37 0.44 0.50 0.02 0.00 0.00 177.57 178.94 3cgh h LYS 120 N 0.67 1.00 -0.43 1.57 3.64 -0.94 -0.20 116.57 121.86 3cgh h LYS 120 Ca 0.12 -0.09 -0.13 0.00 -1.27 0.00 0.00 60.65 59.28 3cgh h LYS 120 Cb 0.51 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 32.11 3cgh h LYS 120 CO 0.03 0.71 -0.25 1.25 -2.27 0.00 0.00 179.45 178.92 3cgh h LEU 121 N 1.00 0.93 -0.41 5.20 5.85 -1.12 -1.98 115.31 124.79 3cgh h LEU 121 Ca 0.26 -0.36 -0.01 0.00 0.84 0.00 0.00 57.88 58.61 3cgh h LEU 121 Cb -0.03 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 40.73 3cgh h LEU 121 CO -0.05 1.13 0.23 0.58 -0.34 0.00 0.00 178.44 179.99 3cgh h VAL 122 N 0.78 1.15 -0.55 1.05 2.07 -0.66 -0.32 116.25 119.77 3cgh h VAL 122 Ca 0.10 -0.37 -0.01 0.00 0.82 0.00 0.00 66.70 67.23 3cgh h VAL 122 Cb 0.81 0.65 -0.03 0.00 -1.52 0.00 0.00 31.29 31.21 3cgh h VAL 122 CO 0.07 0.15 0.28 0.28 0.02 0.00 0.00 177.57 178.37 3cgh h SER 123 N 0.53 0.68 0.10 0.57 0.02 -0.87 -0.66 113.55 113.92 3cgh h SER 123 Ca 0.14 -0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 61.03 3cgh h SER 123 Cb 0.04 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.41 3cgh h SER 123 CO -0.02 0.56 -0.05 1.56 -1.14 0.00 0.00 176.83 177.74 3cgh h GLN 124 N 0.76 -0.14 -0.04 3.45 4.20 -0.88 -1.70 115.11 120.76 3cgh h GLN 124 Ca 0.19 0.01 0.01 0.00 0.06 0.00 0.00 58.65 58.92 3cgh h GLN 124 Cb 0.05 0.03 -0.00 0.00 0.30 0.00 0.00 27.48 27.86 3cgh h GLN 124 CO -0.03 0.34 0.03 -0.91 -0.67 0.00 0.00 178.83 177.59 3cgh h ASN 125 N -0.70 0.00 -0.08 1.46 2.35 -0.77 -2.68 115.58 115.17 3cgh h ASN 125 Ca -0.01 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 3cgh h ASN 125 Cb 0.54 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.91 3cgh h ASN 125 CO 0.02 0.00 0.00 0.35 -1.65 0.00 0.00 177.43 176.15 3cgh n THR 126 N -4.53 0.08 -3.99 2.81 -2.24 -0.28 -4.96 114.28 101.18 3cgh n THR 126 Ca -0.02 -0.54 -0.31 0.00 -2.27 0.00 0.00 64.05 60.91 3cgh n THR 126 Cb 0.13 1.36 0.01 0.00 -2.10 0.00 0.00 70.33 69.73 3cgh n THR 126 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3cgh n ASN 127 N 1.19 -4.25 -3.74 3.42 3.02 -0.90 -4.95 115.26 109.04 3cgh n ASN 127 Ca 0.13 -0.84 -0.29 0.00 -0.03 0.00 0.00 54.58 53.55 3cgh n ASN 127 Cb 0.53 -3.59 -0.16 0.00 -0.61 0.00 0.00 39.78 35.95 3cgh n ASN 127 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3cgh s ASP 128 N -3.36 3.46 0.00 6.41 2.15 -0.69 -5.02 116.67 119.63 3cgh s ASP 128 Ca 0.65 -1.19 0.29 0.00 0.43 0.00 0.00 52.55 52.73 3cgh s ASP 128 Cb -0.33 -0.74 1.22 0.00 -0.30 0.00 0.00 42.92 42.76 3cgh s ASP 128 CO 0.86 -0.35 1.86 -0.81 -0.17 0.00 0.00 175.17 176.56 3cgh n PRO 129 N 4.95 0.49 -0.07 4.34 -0.04 -1.26 -4.21 135.00 139.20 3cgh n PRO 129 Ca -0.06 -0.14 -0.10 0.00 -0.04 0.00 0.00 63.50 63.16 3cgh n PRO 129 Cb 0.45 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.38 3cgh n PRO 129 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 3cgh h VAL 130 N 0.34 1.11 -0.51 0.52 2.07 -1.94 -2.22 116.25 115.62 3cgh h VAL 130 Ca 0.00 -0.30 -0.00 0.00 0.82 0.00 0.00 66.70 67.22 3cgh h VAL 130 Cb 0.37 0.86 -0.02 0.00 -1.52 0.00 0.00 31.29 30.98 3cgh h VAL 130 CO 0.00 0.11 0.31 -0.65 0.02 0.00 0.00 177.57 177.36 3cgh h PRO 131 N 0.29 0.70 -0.47 1.57 0.11 -1.94 -1.49 132.00 130.76 3cgh h PRO 131 Ca 0.09 -0.06 -0.06 0.00 0.11 0.00 0.00 66.00 66.07 3cgh h PRO 131 Cb 0.06 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 31.00 3cgh h PRO 131 CO -0.01 0.51 0.04 -0.92 -0.21 0.00 0.00 178.00 177.40 3cgh h TYR 132 N 0.69 0.79 -0.43 0.65 3.20 -1.79 0.10 116.97 120.19 3cgh h TYR 132 Ca 0.18 -0.09 0.00 0.00 3.14 0.00 0.00 58.73 61.96 3cgh h TYR 132 Cb -0.01 -0.22 -0.02 0.00 1.54 0.00 0.00 36.73 38.01 3cgh h TYR 132 CO -0.03 0.72 0.27 0.00 -1.64 0.00 0.00 178.16 177.48 3cgh h ALA 133 N 1.32 0.55 -0.57 1.82 0.00 -0.97 0.16 119.26 121.57 3cgh h ALA 133 Ca 0.15 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.92 3cgh h ALA 133 Cb 0.39 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 3cgh h ALA 133 CO 0.01 0.02 -0.00 0.82 0.00 0.00 0.00 179.25 180.10 3cgh h ILE 134 N 0.57 1.27 -0.75 0.00 2.04 -0.99 -2.41 117.51 117.24 3cgh h ILE 134 Ca 0.15 -1.14 0.05 0.00 1.00 0.00 0.00 64.86 64.93 3cgh h ILE 134 Cb -0.03 0.86 -0.04 0.00 -0.74 0.00 0.00 36.82 36.87 3cgh h ILE 134 CO -0.03 0.41 0.50 0.00 0.00 0.00 0.00 178.15 179.02 3cgh h ALA 135 N 0.97 1.61 -0.64 1.87 0.00 -0.46 -1.46 119.26 121.14 3cgh h ALA 135 Ca 0.16 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 3cgh h ALA 135 Cb 0.55 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 3cgh h ALA 135 CO 0.03 0.29 0.17 1.96 0.00 0.00 0.00 179.25 181.70 3cgh h GLN 136 N 0.86 1.02 -0.32 0.00 4.20 -0.49 -0.12 115.11 120.25 3cgh h GLN 136 Ca 0.31 -0.24 -0.01 0.00 0.06 0.00 0.00 58.65 58.77 3cgh h GLN 136 Cb 0.15 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 27.77 3cgh h GLN 136 CO -0.10 0.91 0.15 0.28 -0.67 0.00 0.00 178.83 179.41 3cgh h VAL 137 N 0.94 1.16 -0.92 -0.54 2.07 -0.97 -2.33 116.25 115.67 3cgh h VAL 137 Ca 0.20 -0.46 -0.00 0.00 0.82 0.00 0.00 66.70 67.26 3cgh h VAL 137 Cb 0.35 0.88 -0.04 0.00 -1.52 0.00 0.00 31.29 30.95 3cgh h VAL 137 CO 0.00 0.17 0.57 0.40 0.02 0.00 0.00 177.57 178.72 3cgh h ILE 138 N 0.38 1.25 -0.19 4.57 2.04 -1.14 -1.42 117.51 122.99 3cgh h ILE 138 Ca 0.11 -0.52 0.02 0.00 1.00 0.00 0.00 64.86 65.48 3cgh h ILE 138 Cb 0.13 -0.06 -0.02 0.00 -0.74 0.00 0.00 36.82 36.12 3cgh h ILE 138 CO -0.01 0.25 0.05 0.50 0.00 0.00 0.00 178.15 178.94 3cgh h LYS 139 N 1.26 0.13 -0.53 2.37 3.64 -0.81 0.81 116.57 123.42 3cgh h LYS 139 Ca 0.33 -0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.65 3cgh h LYS 139 Cb -0.08 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.69 3cgh h LYS 139 CO -0.06 0.08 0.14 0.28 -2.27 0.00 0.00 179.45 177.62 3cgh h VAL 140 N 0.13 1.24 -0.89 2.00 2.07 -1.12 -2.46 116.25 117.22 3cgh h VAL 140 Ca 0.09 -0.85 0.09 0.00 0.82 0.00 0.00 66.70 66.84 3cgh h VAL 140 Cb 0.07 0.78 -0.06 0.00 -1.52 0.00 0.00 31.29 30.56 3cgh h VAL 140 CO -0.11 0.31 0.57 0.00 0.02 0.00 0.00 177.57 178.37 3cgh h ALA 141 N 1.01 1.62 0.00 1.67 0.00 -0.77 -1.07 119.26 121.72 3cgh h ALA 141 Ca 0.17 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3cgh h ALA 141 Cb 0.33 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3cgh h ALA 141 CO 0.00 0.21 0.00 0.00 0.00 0.00 0.00 179.25 179.46 3cgh n ALA 142 N -2.41 2.29 0.00 0.00 0.00 0.23 -4.35 120.51 116.28 3cgh n ALA 142 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.59 3cgh n ALA 142 Cb 0.29 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.74 3cgh n ALA 142 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 3cgh n HIS 144 N -0.40 0.00 -0.02 0.00 1.44 -0.41 -3.80 115.22 112.03 3cgh n HIS 144 Ca 0.00 0.00 0.02 0.00 -2.01 0.00 0.00 57.72 55.73 3cgh n HIS 144 Cb 0.03 0.00 0.37 0.00 0.12 0.00 0.00 29.99 30.51 3cgh n HIS 144 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3cgh h ARG 145 N 0.00 0.58 0.07 -1.40 3.08 -1.81 -0.51 114.38 114.39 3cgh h ARG 145 Ca 0.00 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 59.99 3cgh h ARG 145 Cb 0.00 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 29.93 3cgh h ARG 145 CO 0.00 0.45 -0.04 0.28 -1.07 0.00 0.00 179.97 179.60 3cgh h VAL 146 N 0.59 1.20 -0.37 2.04 2.07 -1.94 -2.61 116.25 117.23 3cgh h VAL 146 Ca 0.15 -1.36 -0.04 0.00 0.82 0.00 0.00 66.70 66.27 3cgh h VAL 146 Cb 0.06 2.03 -0.02 0.00 -1.52 0.00 0.00 31.29 31.83 3cgh h VAL 146 CO -0.02 0.32 0.08 0.00 0.02 0.00 0.00 177.57 177.96 3cgh h THR 147 N -0.76 1.18 0.00 2.57 1.03 -1.81 -2.07 112.91 113.04 3cgh h THR 147 Ca -0.01 -0.64 -0.02 0.00 -0.01 0.00 0.00 66.41 65.73 3cgh h THR 147 Cb 0.60 0.81 -0.00 0.00 -1.07 0.00 0.00 68.15 68.48 3cgh h THR 147 CO 0.02 0.23 -0.11 0.44 -0.01 0.00 0.00 175.52 176.09 3cgh h ASP 148 N 0.54 0.00 0.25 0.00 3.32 -1.09 0.25 116.42 119.69 3cgh h ASP 148 Ca 0.13 0.00 -0.33 0.00 0.02 0.00 0.00 57.03 56.84 3cgh h ASP 148 Cb 0.23 0.00 0.04 0.00 0.22 0.00 0.00 39.33 39.81 3cgh h ASP 148 CO -0.00 0.11 -1.48 0.00 -1.72 0.00 0.00 179.24 176.15 3cgh h ALA 149 N 1.89 -0.14 0.00 3.45 0.00 -0.98 -3.42 119.26 120.06 3cgh h ALA 149 Ca -0.00 -0.87 -0.10 0.00 0.00 0.00 0.00 54.91 53.93 3cgh h ALA 149 Cb 0.27 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 3cgh h ALA 149 CO 0.01 0.70 -1.60 1.19 0.00 0.00 0.00 179.25 179.56 3cgh n PHE 150 N -3.73 0.00 0.00 0.00 3.72 -1.03 -4.47 117.46 111.96 3cgh n PHE 150 Ca -0.17 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.23 3cgh n PHE 150 Cb 1.10 -0.39 0.00 0.00 -0.94 0.00 0.00 39.48 39.25 3cgh n PHE 150 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3cgh n GLY 151 N 2.18 1.16 3.74 1.37 0.00 0.86 -4.93 105.19 109.58 3cgh n GLY 151 Ca -0.10 -0.95 -0.42 0.00 0.00 0.00 0.00 46.02 44.55 3cgh n GLY 151 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3cgh s PRO 152 N 0.00 4.16 0.07 1.61 0.02 -1.26 -4.64 135.00 134.96 3cgh s PRO 152 Ca 0.00 2.51 -0.04 0.00 0.02 0.00 0.00 61.00 63.49 3cgh s PRO 152 Cb 0.00 -3.05 -0.03 0.00 0.02 0.00 0.00 34.50 31.44 3cgh s PRO 152 CO 0.00 -0.60 0.05 0.96 -0.33 0.00 0.00 177.00 177.08 3cgh s ILE 153 N 0.18 0.19 0.26 2.83 -4.36 -1.18 -4.96 121.20 114.16 3cgh s ILE 153 Ca 0.64 -1.59 -0.31 0.00 -0.26 0.00 0.00 60.65 59.13 3cgh s ILE 153 Cb -0.47 -1.48 -0.13 0.00 1.25 0.00 0.00 42.46 41.64 3cgh s ILE 153 CO 0.44 -0.86 1.50 -2.65 0.24 0.00 0.00 174.94 173.61 3cgh n PRO 154 N 0.04 2.34 0.00 0.37 -0.02 -1.26 -0.85 135.00 135.62 3cgh n PRO 154 Ca -0.14 0.83 0.00 0.00 -2.02 0.00 0.00 63.50 62.17 3cgh n PRO 154 Cb 0.62 -2.55 0.00 0.00 -0.02 0.00 0.00 33.50 31.55 3cgh n PRO 154 CO 0.00 0.00 0.00 0.98 1.98 0.00 0.00 175.50 178.46 3cgh n TYR 155 N 2.05 -0.73 -0.01 6.00 9.36 -1.26 -4.86 117.16 127.70 3cgh n TYR 155 Ca 0.10 0.00 0.21 0.00 3.32 0.00 0.00 57.90 61.53 3cgh n TYR 155 Cb 0.34 0.26 0.69 0.00 -0.63 0.00 0.00 39.34 40.00 3cgh n TYR 155 CO 0.00 0.00 0.00 0.66 0.22 0.00 0.00 176.86 177.74 3cgh h SER 156 N 0.00 0.00 -0.37 2.98 4.64 -1.90 -1.61 113.55 117.29 3cgh h SER 156 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3cgh h SER 156 Cb 0.00 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3cgh h SER 156 CO 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.96 3cgh n GLN 157 N -4.37 2.52 -1.69 4.77 1.13 -1.26 -4.98 117.38 113.49 3cgh n GLN 157 Ca 0.10 -2.28 -0.43 0.00 -1.94 0.00 0.00 57.00 52.45 3cgh n GLN 157 Cb 0.62 -1.52 -0.01 0.00 0.11 0.00 0.00 30.24 29.45 3cgh n GLN 157 CO 0.00 0.00 0.00 -0.89 -1.44 0.00 0.00 177.06 174.73 3cgh n ILE 158 N 1.51 1.94 -1.73 5.09 5.41 -0.61 -4.92 119.36 126.05 3cgh n ILE 158 Ca 0.19 -0.48 -0.29 0.00 1.00 0.00 0.00 62.75 63.16 3cgh n ILE 158 Cb 0.61 -1.54 0.15 0.00 -0.71 0.00 0.00 39.64 38.16 3cgh n ILE 158 CO 0.00 0.00 0.00 -0.83 0.00 0.00 0.00 176.55 175.72 3cgh s GLY 159 N -0.29 1.66 0.59 7.39 0.00 -0.70 -4.89 107.32 111.08 3cgh s GLY 159 Ca 0.56 -0.87 0.31 0.00 0.00 0.00 0.00 44.72 44.72 3cgh s GLY 159 CO 0.61 -0.21 2.25 0.00 0.00 0.00 0.00 173.10 175.76 3cgh h ALA 160 N -1.56 1.46 -0.39 3.20 0.00 -1.92 -0.36 119.26 119.70 3cgh h ALA 160 Ca -0.46 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.44 3cgh h ALA 160 Cb 1.29 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.08 3cgh h ALA 160 CO 0.51 0.01 0.00 0.09 0.00 0.00 0.00 179.25 179.86 3cgh n ASN 161 N -3.76 3.23 0.00 0.00 3.02 -1.26 -3.65 115.26 112.84 3cgh n ASN 161 Ca -0.03 -2.15 0.00 0.00 -0.03 0.00 0.00 54.58 52.37 3cgh n ASN 161 Cb 0.09 -0.31 0.00 0.00 -0.61 0.00 0.00 39.78 38.95 3cgh n ASN 161 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3cgh n GLY 162 N 0.52 0.45 3.68 7.41 0.00 -0.14 -4.46 105.19 112.65 3cgh n GLY 162 Ca 0.15 -0.96 -0.42 0.00 0.00 0.00 0.00 46.02 44.79 3cgh n GLY 162 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3cgh s GLU 163 N -2.25 4.15 0.00 1.61 8.01 -1.26 -4.28 118.70 124.67 3cgh s GLU 163 Ca 0.00 2.55 0.15 0.00 0.01 0.00 0.00 54.97 57.68 3cgh s GLU 163 Cb 0.00 -3.78 0.36 0.00 -4.31 0.00 0.00 34.13 26.40 3cgh s GLU 163 CO 0.00 -0.86 1.27 0.44 0.01 0.00 0.00 175.26 176.12 3cgh n ILE 164 N 5.01 0.78 -1.38 -1.63 -5.35 -1.26 -1.73 119.36 113.80 3cgh n ILE 164 Ca 0.18 -0.89 -0.39 0.00 -0.27 0.00 0.00 62.75 61.38 3cgh n ILE 164 Cb 0.39 0.68 -0.02 0.00 -1.74 0.00 0.00 39.64 38.95 3cgh n ILE 164 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3cgh n ALA 165 N 0.89 6.62 -2.47 -1.28 0.00 -1.26 -4.81 120.51 118.20 3cgh n ALA 165 Ca 0.14 -3.50 -0.11 0.00 0.00 0.00 0.00 53.44 49.97 3cgh n ALA 165 Cb 0.47 -3.40 -0.09 0.00 0.00 0.00 0.00 19.45 16.43 3cgh n ALA 165 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3cgh s THR 166 N 2.67 0.01 0.57 0.00 -4.23 -1.26 -5.03 115.64 108.36 3cgh s THR 166 Ca 0.60 -1.83 -0.21 0.00 -1.18 0.00 0.00 61.69 59.08 3cgh s THR 166 Cb 0.16 -2.39 -0.04 0.00 1.34 0.00 0.00 72.50 71.58 3cgh s THR 166 CO -0.06 -0.03 1.34 -2.84 -0.54 0.00 0.00 174.62 172.50 3cgh s PRO 167 N -4.11 2.98 0.41 3.99 0.02 -1.26 -4.80 135.00 132.22 3cgh s PRO 167 Ca 0.34 2.19 -0.17 0.00 0.02 0.00 0.00 61.00 63.37 3cgh s PRO 167 Cb 0.05 -2.15 -0.09 0.00 0.02 0.00 0.00 34.50 32.33 3cgh s PRO 167 CO 0.10 -1.30 0.87 0.71 -0.33 0.00 0.00 177.00 177.06 3cgh s TYR 168 N -1.33 3.37 0.22 6.54 1.51 -1.26 -4.49 117.35 121.91 3cgh s TYR 168 Ca 0.75 1.41 -0.12 0.00 -1.01 0.00 0.00 57.07 58.10 3cgh s TYR 168 Cb -0.40 -2.71 -0.07 0.00 -0.11 0.00 0.00 41.96 38.67 3cgh s TYR 168 CO 0.46 -0.09 0.59 -0.51 -1.11 0.00 0.00 175.55 174.89 3cgh s ASP 169 N -2.45 6.73 0.81 2.29 1.01 -0.03 -4.90 116.67 120.13 3cgh s ASP 169 Ca 0.58 1.05 -0.12 0.00 0.71 0.00 0.00 52.55 54.77 3cgh s ASP 169 Cb -0.10 -2.28 0.09 0.00 1.01 0.00 0.00 42.92 41.64 3cgh s ASP 169 CO 0.19 -0.04 1.17 -0.94 0.21 0.00 0.00 175.17 175.76 3cgh s SER 170 N -2.14 3.69 0.34 0.27 1.04 -1.26 -3.09 113.70 112.56 3cgh s SER 170 Ca 0.46 2.23 0.06 0.00 0.48 0.00 0.00 55.95 59.17 3cgh s SER 170 Cb -0.12 -2.57 0.63 0.00 0.10 0.00 0.00 66.02 64.06 3cgh s SER 170 CO 0.20 -2.59 1.87 -0.61 0.98 0.00 0.00 173.24 173.09 3cgh h GLN 171 N -1.05 0.43 -0.51 4.02 4.15 -1.87 -1.58 115.11 118.70 3cgh h GLN 171 Ca -0.45 -0.10 0.01 0.00 0.77 0.00 0.00 58.65 58.87 3cgh h GLN 171 Cb 1.28 -0.06 -0.03 0.00 0.21 0.00 0.00 27.48 28.88 3cgh h GLN 171 CO 0.46 0.52 0.34 1.49 -1.93 0.00 0.00 178.83 179.71 3cgh h GLU 172 N 0.41 0.67 -0.65 1.69 4.81 -1.97 -0.11 114.58 119.43 3cgh h GLU 172 Ca 0.08 -0.04 -0.07 0.00 -0.13 0.00 0.00 59.36 59.21 3cgh h GLU 172 Cb 0.39 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 29.59 3cgh h GLU 172 CO 0.02 0.44 0.15 0.28 -0.73 0.00 0.00 179.01 179.16 3cgh h VAL 173 N 0.69 1.26 0.02 0.32 2.07 -1.78 -0.49 116.25 118.33 3cgh h VAL 173 Ca 0.19 -0.96 0.01 0.00 0.82 0.00 0.00 66.70 66.76 3cgh h VAL 173 Cb -0.07 0.63 -0.02 0.00 -1.52 0.00 0.00 31.29 30.32 3cgh h VAL 173 CO -0.05 0.36 -0.09 0.74 0.02 0.00 0.00 177.57 178.56 3cgh h THR 174 N 0.97 0.78 -0.55 2.57 2.02 -0.86 -0.60 112.91 117.24 3cgh h THR 174 Ca 0.20 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.39 3cgh h THR 174 Cb 0.38 0.78 -0.03 0.00 -1.74 0.00 0.00 68.15 67.54 3cgh h THR 174 CO 0.00 0.00 0.36 1.88 0.37 0.00 0.00 175.52 178.13 3cgh h TYR 175 N -0.16 0.67 -0.87 3.16 -1.99 -0.85 0.26 116.97 117.19 3cgh h TYR 175 Ca 0.03 0.02 0.10 0.00 2.00 0.00 0.00 58.73 60.88 3cgh h TYR 175 Cb 0.19 -0.23 -0.08 0.00 2.00 0.00 0.00 36.73 38.62 3cgh h TYR 175 CO -0.14 0.41 0.50 -0.91 -0.00 0.00 0.00 178.16 178.02 3cgh h ASN 176 N 0.72 0.72 -0.42 3.88 2.35 -0.73 -1.70 115.58 120.40 3cgh h ASN 176 Ca 0.21 0.05 -0.07 0.00 -0.55 0.00 0.00 56.30 55.94 3cgh h ASN 176 Cb -0.06 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.21 3cgh h ASN 176 CO -0.06 0.39 -0.01 0.74 -1.65 0.00 0.00 177.43 176.84 3cgh h THR 177 N 0.82 1.26 -0.77 2.81 2.02 -0.32 -1.78 112.91 116.95 3cgh h THR 177 Ca 0.42 -1.05 0.11 0.00 0.77 0.00 0.00 66.41 66.67 3cgh h THR 177 Cb 0.41 1.11 -0.08 0.00 -1.74 0.00 0.00 68.15 67.86 3cgh h THR 177 CO -0.26 0.36 0.39 -0.26 0.37 0.00 0.00 175.52 176.12 3cgh h PHE 178 N 0.57 0.70 -0.44 3.16 0.04 -0.36 0.12 116.94 120.74 3cgh h PHE 178 Ca 0.12 0.03 -0.10 0.00 2.80 0.00 0.00 57.97 60.82 3cgh h PHE 178 Cb 0.50 -0.20 -0.01 0.00 2.20 0.00 0.00 35.95 38.44 3cgh h PHE 178 CO 0.04 0.23 -0.10 0.74 -0.60 0.00 0.00 178.31 178.61 3cgh h PHE 179 N 0.63 0.96 -0.89 -0.55 0.04 -1.05 -0.11 116.94 115.97 3cgh h PHE 179 Ca 0.39 -0.20 -0.01 0.00 2.80 0.00 0.00 57.97 60.94 3cgh h PHE 179 Cb 0.46 -0.23 -0.04 0.00 2.20 0.00 0.00 35.95 38.33 3cgh h PHE 179 CO -0.10 0.95 0.50 -0.44 -0.60 0.00 0.00 178.31 178.62 3cgh h ASP 180 N 0.68 1.09 -0.15 2.17 3.32 -0.58 0.85 116.42 123.81 3cgh h ASP 180 Ca 0.11 -0.09 -0.05 0.00 0.02 0.00 0.00 57.03 57.02 3cgh h ASP 180 Cb 0.64 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 39.91 3cgh h ASP 180 CO 0.04 0.87 -0.09 -0.33 -1.72 0.00 0.00 179.24 178.01 3cgh h GLU 181 N 1.23 0.32 -0.53 3.56 5.08 -0.48 -1.05 114.58 122.71 3cgh h GLU 181 Ca 0.31 -0.15 0.01 0.00 -1.00 0.00 0.00 59.36 58.54 3cgh h GLU 181 Cb 0.01 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 3cgh h GLU 181 CO -0.05 0.67 0.34 -0.07 -1.00 0.00 0.00 179.01 178.90 3cgh h LEU 182 N -0.02 0.57 -0.89 1.33 3.38 -0.91 -1.16 115.31 117.62 3cgh h LEU 182 Ca 0.03 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3cgh h LEU 182 Cb 0.58 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.16 3cgh h LEU 182 CO 0.03 0.41 0.57 0.78 0.09 0.00 0.00 178.44 180.31 3cgh h ASN 183 N 0.69 1.04 -0.45 -0.43 2.35 -0.65 0.63 115.58 118.75 3cgh h ASN 183 Ca 0.20 -0.04 -0.09 0.00 -0.55 0.00 0.00 56.30 55.82 3cgh h ASN 183 Cb -0.04 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.06 3cgh h ASN 183 CO -0.06 0.77 -0.07 0.00 -1.65 0.00 0.00 177.43 176.42 3cgh h ALA 184 N 1.31 0.62 -0.28 -0.83 0.00 -0.92 -1.10 119.26 118.07 3cgh h ALA 184 Ca 0.32 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 3cgh h ALA 184 Cb -0.11 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 3cgh h ALA 184 CO -0.07 0.48 0.13 0.00 0.00 0.00 0.00 179.25 179.79 3cgh h ALA 185 N 0.89 0.36 -0.86 0.00 0.00 -0.76 -1.48 119.26 117.40 3cgh h ALA 185 Ca 0.12 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 3cgh h ALA 185 Cb 0.60 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.24 3cgh h ALA 185 CO 0.04 -0.07 0.47 0.82 0.00 0.00 0.00 179.25 180.50 3cgh h ILE 186 N 0.31 1.25 -0.32 0.00 2.04 -0.76 0.14 117.51 120.17 3cgh h ILE 186 Ca 0.09 -0.63 -0.03 0.00 1.00 0.00 0.00 64.86 65.30 3cgh h ILE 186 Cb 0.13 0.08 -0.01 0.00 -0.74 0.00 0.00 36.82 36.28 3cgh h ILE 186 CO -0.01 0.28 0.09 0.00 0.00 0.00 0.00 178.15 178.52 3cgh h ALA 187 N 1.31 0.42 -0.32 1.87 0.00 -0.99 -0.21 119.26 121.34 3cgh h ALA 187 Ca 0.30 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 3cgh h ALA 187 Cb 0.03 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3cgh h ALA 187 CO -0.05 0.07 0.04 1.15 0.00 0.00 0.00 179.25 180.46 3cgh h THR 188 N 0.36 1.24 -0.65 0.00 2.02 -0.80 -2.19 112.91 112.90 3cgh h THR 188 Ca 0.10 -0.85 -0.06 0.00 0.77 0.00 0.00 66.41 66.38 3cgh h THR 188 Cb 0.26 1.17 -0.03 0.00 -1.74 0.00 0.00 68.15 67.81 3cgh h THR 188 CO -0.00 0.28 0.18 -0.07 0.37 0.00 0.00 175.52 176.28 3cgh h LEU 189 N 0.37 0.96 -0.81 2.58 3.38 -0.64 -2.05 115.31 119.09 3cgh h LEU 189 Ca 0.10 -0.22 -0.02 0.00 0.09 0.00 0.00 57.88 57.83 3cgh h LEU 189 Cb 0.37 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.83 3cgh h LEU 189 CO 0.01 0.93 0.41 0.78 0.09 0.00 0.00 178.44 180.66 3cgh h ASN 190 N 0.95 1.04 0.59 -0.43 2.35 -0.89 0.11 115.58 119.29 3cgh h ASN 190 Ca 0.21 -0.12 -0.03 0.00 -0.55 0.00 0.00 56.30 55.81 3cgh h ASN 190 Cb 0.32 -0.27 -0.00 0.00 0.05 0.00 0.00 38.32 38.42 3cgh h ASN 190 CO -0.00 0.86 -0.14 -0.33 -1.65 0.00 0.00 177.43 176.16 3cgh h GLU 191 N 1.13 0.00 -0.19 0.81 5.08 -1.03 -2.84 114.58 117.55 3cgh h GLU 191 Ca 0.28 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.52 3cgh h GLU 191 Cb 0.08 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.25 3cgh h GLU 191 CO -0.04 0.14 -0.40 0.09 -1.00 0.00 0.00 179.01 177.80 3cgh n ASN 192 N -3.48 2.32 0.32 1.42 3.02 -0.53 -4.81 115.26 113.53 3cgh n ASN 192 Ca -0.01 -3.86 0.21 0.00 -0.03 0.00 0.00 54.58 50.89 3cgh n ASN 192 Cb 0.30 -0.55 1.09 0.00 -0.61 0.00 0.00 39.78 40.02 3cgh n ASN 192 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 3cgh h SER 193 N 1.14 0.00 0.09 6.41 4.64 -0.77 0.35 113.55 125.41 3cgh h SER 193 Ca 0.11 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 3cgh h SER 193 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 3cgh h SER 193 CO 0.21 0.00 -0.42 0.59 -0.87 0.00 0.00 176.83 176.35 3cgh n ASN 194 N -3.10 1.57 -3.34 4.97 3.02 -1.26 -4.55 115.26 112.57 3cgh n ASN 194 Ca -0.02 -1.23 -0.15 0.00 -0.03 0.00 0.00 54.58 53.15 3cgh n ASN 194 Cb 0.13 0.36 0.09 0.00 -0.61 0.00 0.00 39.78 39.75 3cgh n ASN 194 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3cgh n GLU 195 N -0.35 -0.18 -3.81 3.52 -0.58 0.11 -5.10 120.64 114.25 3cgh n GLU 195 Ca 0.10 -1.44 -0.10 0.00 -0.42 0.00 0.00 57.16 55.31 3cgh n GLU 195 Cb 0.41 -0.55 -0.06 0.00 -0.57 0.00 0.00 31.44 30.68 3cgh n GLU 195 CO 0.00 0.00 0.00 1.14 -0.48 0.00 0.00 177.13 177.79 3cgh s GLN 196 N -4.25 1.11 -0.07 3.49 -2.07 -1.26 -4.44 119.66 112.18 3cgh s GLN 196 Ca 0.41 -0.95 -0.01 0.00 -1.82 0.00 0.00 55.36 52.98 3cgh s GLN 196 Cb -0.02 0.42 -0.03 0.00 -1.09 0.00 0.00 33.01 32.29 3cgh s GLN 196 CO 0.28 -0.42 0.01 -1.17 -1.32 0.00 0.00 175.29 172.66 3cgh s LEU 197 N -2.89 3.60 0.14 2.60 2.96 -0.52 -4.96 118.68 119.61 3cgh s LEU 197 Ca 0.09 0.12 -0.35 0.00 -0.22 0.00 0.00 54.13 53.78 3cgh s LEU 197 Cb 0.02 -1.88 -0.15 0.00 0.50 0.00 0.00 46.19 44.69 3cgh s LEU 197 CO -0.06 0.36 1.49 0.55 -1.32 0.00 0.00 176.35 177.37 3cgh n VAL 198 N 1.96 0.07 0.25 1.68 3.14 -1.26 -4.13 118.33 120.05 3cgh n VAL 198 Ca -0.18 -0.02 0.08 0.00 -2.96 0.00 0.00 64.34 61.27 3cgh n VAL 198 Cb 0.53 -1.30 0.63 0.00 -1.06 0.00 0.00 33.84 32.65 3cgh n VAL 198 CO 0.00 0.00 0.00 -0.65 -6.46 0.00 0.00 176.83 169.72 3cgh h PRO 199 N 5.35 0.00 0.00 1.45 0.11 -1.92 -1.52 132.00 135.48 3cgh h PRO 199 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3cgh h PRO 199 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 3cgh h PRO 199 CO 0.84 0.07 0.00 0.25 -0.21 0.00 0.00 178.00 178.95 3cgh n THR 200 N -4.33 0.86 0.89 -1.15 -2.24 -1.26 -1.77 114.28 105.29 3cgh n THR 200 Ca -0.03 0.22 0.12 0.00 -2.27 0.00 0.00 64.05 62.09 3cgh n THR 200 Cb 0.15 -0.96 0.27 0.00 -2.10 0.00 0.00 70.33 67.69 3cgh n THR 200 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3cgh n ALA 201 N -1.43 2.48 -3.22 6.98 0.00 -0.57 -4.85 120.51 119.89 3cgh n ALA 201 Ca 0.05 -0.72 -0.01 0.00 0.00 0.00 0.00 53.44 52.76 3cgh n ALA 201 Cb 0.16 -0.96 -0.02 0.00 0.00 0.00 0.00 19.45 18.63 3cgh n ALA 201 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3cgh s ASP 202 N -1.71 -1.02 -0.01 0.00 2.15 -0.73 -4.17 116.67 111.18 3cgh s ASP 202 Ca 0.34 -0.44 0.07 0.00 0.43 0.00 0.00 52.55 52.96 3cgh s ASP 202 Cb 0.20 1.73 0.23 0.00 -0.30 0.00 0.00 42.92 44.78 3cgh s ASP 202 CO 0.30 -0.25 1.15 -1.22 -0.17 0.00 0.00 175.17 174.98 3cgh n TYR 203 N 4.91 0.38 -0.07 -5.34 4.02 -1.26 -1.01 117.16 118.80 3cgh n TYR 203 Ca 0.07 -0.18 -0.05 0.00 -0.01 0.00 0.00 57.90 57.73 3cgh n TYR 203 Cb 0.54 -0.03 -0.02 0.00 -0.02 0.00 0.00 39.34 39.81 3cgh n TYR 203 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 176.86 174.96 3cgh n ILE 204 N 0.24 1.23 -0.13 -0.72 -0.00 -1.26 -1.61 119.36 117.10 3cgh n ILE 204 Ca 0.09 0.24 0.00 0.00 -0.00 0.00 0.00 62.75 63.07 3cgh n ILE 204 Cb 0.26 -2.24 0.00 0.00 -0.00 0.00 0.00 39.64 37.66 3cgh n ILE 204 CO 0.00 0.00 0.00 -1.22 -0.00 0.00 0.00 176.55 175.33 3cgh n TYR 205 N -4.21 0.00 -3.04 1.39 4.01 -1.25 -4.75 117.16 109.30 3cgh n TYR 205 Ca -0.08 -0.43 -0.22 0.00 -0.16 0.00 0.00 57.90 57.01 3cgh n TYR 205 Cb 0.31 -0.04 0.01 0.00 -0.31 0.00 0.00 39.34 39.31 3cgh n TYR 205 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 3cgh n LYS 206 N -0.43 -3.88 -1.00 -0.72 5.02 -0.18 -1.88 118.16 115.09 3cgh n LYS 206 Ca 0.00 0.73 0.00 0.00 -2.02 0.00 0.00 58.31 57.02 3cgh n LYS 206 Cb 0.28 -5.50 0.00 0.00 -0.02 0.00 0.00 35.03 29.79 3cgh n LYS 206 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3cgh n GLY 207 N -1.29 0.48 3.59 0.72 0.00 -1.26 -4.29 105.19 103.14 3cgh n GLY 207 Ca -0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.50 3cgh n GLY 207 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3cgh s ASP 208 N -2.07 6.17 0.27 1.61 2.15 -0.79 -1.44 116.67 122.57 3cgh s ASP 208 Ca 0.00 0.77 -0.01 0.00 0.43 0.00 0.00 52.55 53.74 3cgh s ASP 208 Cb 0.00 -2.54 0.36 0.00 -0.30 0.00 0.00 42.92 40.44 3cgh s ASP 208 CO 0.00 -1.58 1.77 0.58 -0.17 0.00 0.00 175.17 175.77 3cgh h VAL 209 N 6.53 1.24 -0.30 1.11 2.07 -1.86 -2.62 116.25 122.42 3cgh h VAL 209 Ca -0.28 -0.99 -0.10 0.00 0.82 0.00 0.00 66.70 66.14 3cgh h VAL 209 Cb 1.12 0.90 -0.01 0.00 -1.52 0.00 0.00 31.29 31.77 3cgh h VAL 209 CO 1.10 0.35 -0.25 0.11 0.02 0.00 0.00 177.57 178.90 3cgh h LYS 210 N 0.71 0.58 -0.70 1.57 1.57 -1.91 -1.46 116.57 116.94 3cgh h LYS 210 Ca 0.14 -0.23 -0.06 0.00 -1.87 0.00 0.00 60.65 58.63 3cgh h LYS 210 Cb 0.45 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.70 3cgh h LYS 210 CO 0.02 0.78 0.20 0.87 -0.57 0.00 0.00 179.45 180.76 3cgh h LYS 211 N 0.51 1.10 -0.88 3.15 1.57 -1.87 -2.32 116.57 117.82 3cgh h LYS 211 Ca 0.07 -0.25 -0.02 0.00 -1.87 0.00 0.00 60.65 58.59 3cgh h LYS 211 Cb 0.71 -0.15 -0.04 0.00 0.08 0.00 0.00 32.23 32.82 3cgh h LYS 211 CO 0.05 0.95 0.49 -1.49 -0.57 0.00 0.00 179.45 178.88 3cgh h TRP 212 N 1.04 1.20 -0.47 -1.35 4.06 -1.11 -0.06 115.95 119.26 3cgh h TRP 212 Ca 0.22 -0.03 0.01 0.00 2.06 0.00 0.00 58.89 61.16 3cgh h TRP 212 Cb 0.32 -0.39 -0.03 0.00 -1.00 0.00 0.00 29.16 28.07 3cgh h TRP 212 CO 0.03 0.83 0.30 0.82 -3.56 0.00 0.00 178.44 176.86 3cgh h ILE 213 N 1.23 1.09 -0.51 1.49 2.04 -1.05 0.10 117.51 121.90 3cgh h ILE 213 Ca 0.31 -0.21 -0.02 0.00 1.00 0.00 0.00 64.86 65.94 3cgh h ILE 213 Cb 0.02 0.43 -0.02 0.00 -0.74 0.00 0.00 36.82 36.51 3cgh h ILE 213 CO -0.05 0.11 0.23 0.03 0.00 0.00 0.00 178.15 178.48 3cgh h ARG 214 N 0.61 0.75 -0.51 2.37 3.08 -0.94 -0.91 114.38 118.82 3cgh h ARG 214 Ca 0.18 -0.12 -0.05 0.00 0.07 0.00 0.00 59.98 60.06 3cgh h ARG 214 Cb -0.04 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 29.86 3cgh h ARG 214 CO -0.06 0.63 0.12 0.35 -1.07 0.00 0.00 179.97 179.94 3cgh h PHE 215 N 0.68 0.87 -0.67 3.04 3.57 -0.78 -1.16 116.94 122.50 3cgh h PHE 215 Ca 0.17 -0.11 0.01 0.00 3.53 0.00 0.00 57.97 61.58 3cgh h PHE 215 Cb 0.14 -0.24 -0.03 0.00 2.79 0.00 0.00 35.95 38.60 3cgh h PHE 215 CO -0.00 0.78 0.44 0.00 -2.23 0.00 0.00 178.31 177.30 3cgh h ALA 216 N 0.99 0.86 -0.14 2.41 0.00 -0.38 0.54 119.26 123.55 3cgh h ALA 216 Ca 0.16 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.94 3cgh h ALA 216 Cb 0.35 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3cgh h ALA 216 CO 0.00 0.27 -0.32 -0.91 0.00 0.00 0.00 179.25 178.29 3cgh h ASN 217 N 0.90 0.27 -0.39 0.00 2.35 -1.09 -0.66 115.58 116.96 3cgh h ASN 217 Ca 0.25 -0.10 -0.09 0.00 -0.55 0.00 0.00 56.30 55.81 3cgh h ASN 217 Cb -0.09 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.20 3cgh h ASN 217 CO -0.06 0.59 -0.13 0.28 -1.65 0.00 0.00 177.43 176.46 3cgh h SER 218 N 0.23 0.78 -0.53 5.81 0.02 -0.23 -0.77 113.55 118.87 3cgh h SER 218 Ca 0.03 -0.38 -0.09 0.00 -0.84 0.00 0.00 61.79 60.51 3cgh h SER 218 Cb 0.69 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 63.00 3cgh h SER 218 CO 0.05 0.98 -0.04 0.25 -1.14 0.00 0.00 176.83 176.94 3cgh h LEU 219 N 0.58 0.95 -0.81 5.07 5.85 -0.78 -0.61 115.31 125.56 3cgh h LEU 219 Ca 0.09 -0.32 0.05 0.00 0.84 0.00 0.00 57.88 58.54 3cgh h LEU 219 Cb 0.66 -0.26 -0.06 0.00 0.37 0.00 0.00 40.66 41.37 3cgh h LEU 219 CO 0.04 1.05 0.50 0.50 -0.34 0.00 0.00 178.44 180.19 3cgh h LYS 220 N 0.83 0.90 -0.46 1.25 3.64 -0.88 -0.87 116.57 120.98 3cgh h LYS 220 Ca 0.15 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.43 3cgh h LYS 220 Cb 0.58 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 32.18 3cgh h LYS 220 CO 0.03 0.59 0.14 1.25 -2.27 0.00 0.00 179.45 179.20 3cgh h LEU 221 N 0.93 0.67 -0.41 5.20 5.85 -0.70 0.16 115.31 127.01 3cgh h LEU 221 Ca 0.34 -0.21 0.07 0.00 0.84 0.00 0.00 57.88 58.93 3cgh h LEU 221 Cb 0.13 -0.18 -0.06 0.00 0.37 0.00 0.00 40.66 40.92 3cgh h LEU 221 CO -0.16 0.70 0.03 -0.09 -0.34 0.00 0.00 178.44 178.58 3cgh h ARG 222 N 0.61 0.14 0.00 1.25 2.43 -0.37 -1.18 114.38 117.25 3cgh h ARG 222 Ca 0.15 -0.01 -0.12 0.00 -0.81 0.00 0.00 59.98 59.19 3cgh h ARG 222 Cb 0.27 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.77 3cgh h ARG 222 CO -0.00 0.09 -0.58 -0.07 -1.51 0.00 0.00 179.97 177.89 3cgh h LEU 223 N 0.14 0.00 -0.27 3.80 3.38 -0.85 -1.41 115.31 120.09 3cgh h LEU 223 Ca 0.20 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.13 3cgh h LEU 223 Cb 0.28 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 3cgh h LEU 223 CO -0.31 0.58 0.00 0.00 0.09 0.00 0.00 178.44 178.80 3cgh h ALA 224 N 1.42 0.37 -0.17 1.53 0.00 -0.44 -2.67 119.26 119.30 3cgh h ALA 224 Ca -0.01 -0.22 -0.11 0.00 0.00 0.00 0.00 54.91 54.57 3cgh h ALA 224 Cb 1.12 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 3cgh h ALA 224 CO 0.08 0.10 -0.37 0.82 0.00 0.00 0.00 179.25 179.88 3cgh h ILE 225 N 0.27 1.30 -0.99 0.00 1.08 -1.15 -2.54 117.51 115.46 3cgh h ILE 225 Ca 0.08 -1.46 0.13 0.00 -0.39 0.00 0.00 64.86 63.22 3cgh h ILE 225 Cb 0.42 1.58 -0.09 0.00 -3.07 0.00 0.00 36.82 35.65 3cgh h ILE 225 CO 0.01 0.45 0.62 -0.09 -0.69 0.00 0.00 178.15 178.45 3cgh h ARG 226 N 0.30 0.90 -0.64 2.37 9.65 -1.01 -2.07 114.38 123.90 3cgh h ARG 226 Ca 0.03 -0.05 0.00 0.00 -1.10 0.00 0.00 59.98 58.86 3cgh h ARG 226 Cb 0.79 -0.20 0.00 0.00 -1.39 0.00 0.00 29.97 29.17 3cgh h ARG 226 CO 0.06 0.60 0.00 0.44 2.80 0.00 0.00 179.97 183.87 3cgh n ILE 227 N -4.66 1.96 0.22 1.20 -5.35 -0.98 -4.55 119.36 107.21 3cgh n ILE 227 Ca 0.20 -1.11 0.07 0.00 -0.27 0.00 0.00 62.75 61.63 3cgh n ILE 227 Cb 0.40 -0.10 0.52 0.00 -1.74 0.00 0.00 39.64 38.72 3cgh n ILE 227 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3cgh h ALA 228 N 3.87 1.43 0.11 -1.28 0.00 -1.17 -0.28 119.26 121.94 3cgh h ALA 228 Ca 0.00 -0.21 -0.26 0.00 0.00 0.00 0.00 54.91 54.44 3cgh h ALA 228 Cb 1.53 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.28 3cgh h ALA 228 CO 0.31 0.28 -1.34 1.88 0.00 0.00 0.00 179.25 180.38 3cgh h TYR 229 N 0.00 0.42 -0.31 0.00 0.05 -1.82 -3.29 116.97 112.02 3cgh h TYR 229 Ca -0.00 -0.31 -0.14 0.00 0.05 0.00 0.00 58.73 58.33 3cgh h TYR 229 Cb 0.46 -0.02 -0.01 0.00 1.01 0.00 0.00 36.73 38.17 3cgh h TYR 229 CO 0.00 1.52 -0.38 0.00 -1.05 0.00 0.00 178.16 178.25 3cgh h ALA 230 N -0.05 0.74 -1.83 3.88 0.00 -1.72 -3.39 119.26 116.89 3cgh h ALA 230 Ca -0.29 -0.44 -0.40 0.00 0.00 0.00 0.00 54.91 53.78 3cgh h ALA 230 Cb 1.72 -0.12 -0.29 0.00 0.00 0.00 0.00 17.79 19.10 3cgh h ALA 230 CO 0.05 0.66 -0.76 1.21 0.00 0.00 0.00 179.25 180.41 3cgh s ASN 231 N -6.84 0.43 0.48 0.00 3.84 -0.14 -5.02 114.94 107.69 3cgh s ASN 231 Ca -0.09 -2.32 0.14 0.00 0.21 0.00 0.00 52.86 50.80 3cgh s ASN 231 Cb 0.12 0.53 1.13 0.00 -0.55 0.00 0.00 41.25 42.48 3cgh s ASN 231 CO 0.85 -0.15 2.10 1.55 -2.79 0.00 0.00 177.10 178.65 3cgh h PRO 232 N 5.74 0.10 0.19 0.43 0.13 -1.69 0.99 132.00 137.89 3cgh h PRO 232 Ca 0.16 -0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 65.27 3cgh h PRO 232 Cb 1.01 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.12 3cgh h PRO 232 CO 0.22 0.11 -0.09 0.28 -0.23 0.00 0.00 178.00 178.28 3cgh h VAL 233 N 0.10 0.90 -0.45 1.56 2.07 -1.91 -1.52 116.25 117.00 3cgh h VAL 233 Ca 0.03 -0.47 -0.02 0.00 0.82 0.00 0.00 66.70 67.05 3cgh h VAL 233 Cb 0.07 1.18 -0.02 0.00 -1.52 0.00 0.00 31.29 31.00 3cgh h VAL 233 CO 0.00 0.11 0.21 0.50 0.02 0.00 0.00 177.57 178.41 3cgh h LYS 234 N -0.49 0.64 -0.28 1.57 3.64 -1.83 -2.69 116.57 117.13 3cgh h LYS 234 Ca -0.03 -0.09 0.06 0.00 -1.27 0.00 0.00 60.65 59.31 3cgh h LYS 234 Cb 0.37 -0.12 -0.05 0.00 -0.41 0.00 0.00 32.23 32.03 3cgh h LYS 234 CO 0.04 0.55 -0.06 0.00 -2.27 0.00 0.00 179.45 177.71 3cgh h ALA 235 N 1.06 0.19 -0.57 5.00 0.00 -0.74 -2.69 119.26 121.51 3cgh h ALA 235 Ca 0.15 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.17 3cgh h ALA 235 Cb 0.12 0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 3cgh h ALA 235 CO -0.02 -0.46 0.36 0.37 0.00 0.00 0.00 179.25 179.50 3cgh h GLN 236 N 0.01 0.77 -0.52 0.00 4.15 -1.21 -0.85 115.11 117.44 3cgh h GLN 236 Ca 0.13 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.49 3cgh h GLN 236 Cb 0.20 -0.17 0.00 0.00 0.21 0.00 0.00 27.48 27.73 3cgh h GLN 236 CO -0.28 0.54 0.00 0.94 -1.93 0.00 0.00 178.83 178.09 3cgh n GLN 237 N -4.66 0.33 0.00 1.69 7.27 -1.01 -1.22 117.38 119.78 3cgh n GLN 237 Ca 0.04 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.11 3cgh n GLN 237 Cb 0.04 -1.19 0.00 0.00 2.41 0.00 0.00 30.24 31.50 3cgh n GLN 237 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3cgh n ALA 239 N 0.41 0.00 0.02 1.69 0.00 -0.33 -1.42 120.51 120.88 3cgh n ALA 239 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.38 3cgh n ALA 239 Cb 0.09 0.00 0.14 0.00 0.00 0.00 0.00 19.45 19.68 3cgh n ALA 239 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3cgh h GLU 240 N 0.00 0.47 -0.60 0.00 5.08 -1.40 -2.29 114.58 115.84 3cgh h GLU 240 Ca 0.00 -0.23 -0.03 0.00 -1.00 0.00 0.00 59.36 58.10 3cgh h GLU 240 Cb 0.00 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 3cgh h GLU 240 CO 0.00 0.79 0.26 0.93 -1.00 0.00 0.00 179.01 179.99 3cgh h GLU 241 N 0.39 0.88 -0.94 2.33 5.08 -1.48 -2.45 114.58 118.40 3cgh h GLU 241 Ca 0.04 -0.15 0.03 0.00 -1.00 0.00 0.00 59.36 58.28 3cgh h GLU 241 Cb 0.87 -0.15 -0.05 0.00 0.50 0.00 0.00 28.75 29.92 3cgh h GLU 241 CO 0.07 0.74 0.62 0.00 -1.00 0.00 0.00 179.01 179.44 3cgh h ALA 242 N 1.10 1.39 -0.21 3.43 0.00 -1.68 -2.57 119.26 120.72 3cgh h ALA 242 Ca 0.20 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3cgh h ALA 242 Cb 0.17 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.63 3cgh h ALA 242 CO -0.02 0.52 0.00 1.33 0.00 0.00 0.00 179.25 181.08 3cgh n VAL 243 N -4.44 0.26 -2.43 0.00 0.24 -1.02 -4.36 118.33 106.59 3cgh n VAL 243 Ca 0.12 -0.55 -0.43 0.00 -2.04 0.00 0.00 64.34 61.44 3cgh n VAL 243 Cb 0.09 0.95 -0.02 0.00 -1.47 0.00 0.00 33.84 33.39 3cgh n VAL 243 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 3cgh s ASN 244 N -1.69 6.99 0.58 -1.34 3.84 -0.93 -4.90 114.94 117.49 3cgh s ASN 244 Ca 0.35 1.77 0.28 0.00 0.21 0.00 0.00 52.86 55.47 3cgh s ASN 244 Cb 0.21 -2.55 1.51 0.00 -0.55 0.00 0.00 41.25 39.87 3cgh s ASN 244 CO 0.30 -0.68 1.95 -0.65 -2.79 0.00 0.00 177.10 175.24 3cgh h PRO 245 N 7.86 0.00 0.00 0.43 0.10 -1.91 -1.23 132.00 137.25 3cgh h PRO 245 Ca -0.30 0.00 0.00 0.00 0.10 0.00 0.00 66.00 65.80 3cgh h PRO 245 Cb 1.13 0.00 0.00 0.00 0.10 0.00 0.00 31.00 32.23 3cgh h PRO 245 CO 0.93 0.00 0.00 0.00 0.10 0.00 0.00 178.00 179.03 3cgh h ALA 246 N 1.56 1.00 -0.11 -0.75 0.00 -1.92 -2.13 119.26 116.90 3cgh h ALA 246 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.11 3cgh h ALA 246 Cb 1.03 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.82 3cgh h ALA 246 CO -0.00 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.34 3cgh n ASN 247 N -2.87 2.92 0.00 0.00 3.02 -0.46 -4.98 115.26 112.89 3cgh n ASN 247 Ca -0.01 -1.91 0.00 0.00 -0.03 0.00 0.00 54.58 52.63 3cgh n ASN 247 Cb 0.17 -0.06 0.00 0.00 -0.61 0.00 0.00 39.78 39.28 3cgh n ASN 247 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3cgh n GLY 248 N 1.24 0.69 0.00 7.41 0.00 -0.80 -4.97 105.19 108.76 3cgh n GLY 248 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 3cgh n GLY 248 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cgh n GLY 249 N -1.12 -0.34 3.83 -0.02 0.00 -1.26 -4.67 105.19 101.62 3cgh n GLY 249 Ca 0.00 -1.77 -0.27 0.00 0.00 0.00 0.00 46.02 43.98 3cgh n GLY 249 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3cgh s VAL 250 N -1.71 1.83 -0.15 1.61 -7.23 -1.26 -4.03 120.40 109.47 3cgh s VAL 250 Ca 0.00 -1.62 -0.29 0.00 -1.81 0.00 0.00 61.98 58.26 3cgh s VAL 250 Cb 0.00 -2.45 -0.03 0.00 0.56 0.00 0.00 36.38 34.46 3cgh s VAL 250 CO 0.00 0.00 1.49 -0.63 -0.31 0.00 0.00 175.10 175.65 3cgh s ILE 251 N -2.72 3.88 0.00 -0.62 1.01 -1.24 -4.85 121.20 116.66 3cgh s ILE 251 Ca 0.32 1.05 0.00 0.00 0.00 0.00 0.00 60.65 62.02 3cgh s ILE 251 Cb 0.00 -3.74 0.00 0.00 0.01 0.00 0.00 42.46 38.73 3cgh s ILE 251 CO 0.19 -0.17 0.51 -0.62 0.00 0.00 0.00 174.94 174.85 3cgh n GLU 252 N 7.09 -0.40 -3.90 2.79 1.02 -1.26 -4.72 120.64 121.26 3cgh n GLU 252 Ca 0.16 -0.58 -0.11 0.00 -0.02 0.00 0.00 57.16 56.62 3cgh n GLU 252 Cb 0.44 -0.94 -0.13 0.00 -0.02 0.00 0.00 31.44 30.79 3cgh n GLU 252 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 3cgh s SER 253 N -0.12 0.06 0.53 1.62 0.15 -1.26 -5.04 113.70 109.65 3cgh s SER 253 Ca 0.00 -0.15 0.20 0.00 0.70 0.00 0.00 55.95 56.70 3cgh s SER 253 Cb 0.00 0.08 1.38 0.00 -1.71 0.00 0.00 66.02 65.77 3cgh s SER 253 CO 0.00 -0.13 2.13 0.78 1.20 0.00 0.00 173.24 177.22 3cgh h ASN 254 N 5.49 0.00 -0.05 5.45 2.35 -1.96 -1.27 115.58 125.60 3cgh h ASN 254 Ca -0.27 0.00 0.01 0.00 -0.55 0.00 0.00 56.30 55.49 3cgh h ASN 254 Cb 1.21 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.58 3cgh h ASN 254 CO 0.46 0.00 0.06 0.00 -1.65 0.00 0.00 177.43 176.30 3cgh h ALA 255 N 1.94 1.51 -0.53 -0.83 0.00 -2.02 -2.04 119.26 117.30 3cgh h ALA 255 Ca 0.05 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3cgh h ALA 255 Cb 0.20 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3cgh h ALA 255 CO -0.00 -0.09 0.00 -0.25 0.00 0.00 0.00 179.25 178.91 3cgh n ASP 256 N -3.69 3.62 -4.68 0.00 8.00 -0.48 -5.01 116.55 114.32 3cgh n ASP 256 Ca -0.02 -2.12 -0.43 0.00 0.71 0.00 0.00 54.79 52.93 3cgh n ASP 256 Cb 0.15 -0.39 -0.01 0.00 -0.02 0.00 0.00 41.12 40.85 3cgh n ASP 256 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3cgh n ASN 257 N 0.97 2.52 -4.57 -2.24 3.02 -0.77 -4.88 115.26 109.30 3cgh n ASN 257 Ca 0.19 1.20 -0.42 0.00 -0.03 0.00 0.00 54.58 55.52 3cgh n ASN 257 Cb 0.59 -1.45 -0.01 0.00 -0.61 0.00 0.00 39.78 38.30 3cgh n ASN 257 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3cgh s ALA 258 N -1.07 3.02 -0.11 5.41 0.00 -1.26 -4.93 121.76 122.83 3cgh s ALA 258 Ca 0.56 -2.62 0.01 0.00 0.00 0.00 0.00 51.96 49.92 3cgh s ALA 258 Cb -0.59 -4.60 0.02 0.00 0.00 0.00 0.00 23.12 17.95 3cgh s ALA 258 CO 0.62 -3.48 -0.14 0.99 0.00 0.00 0.00 175.76 173.75 3cgh s THR 259 N 4.69 1.41 -0.66 0.00 2.01 -1.26 -0.29 115.64 121.54 3cgh s THR 259 Ca 0.51 -0.59 -0.19 0.00 0.31 0.00 0.00 61.69 61.74 3cgh s THR 259 Cb 0.02 -1.31 0.12 0.00 0.01 0.00 0.00 72.50 71.34 3cgh s THR 259 CO 0.00 0.43 0.79 0.86 -0.69 0.00 0.00 174.62 176.01 3cgh s TRP 260 N 1.08 3.05 -1.29 4.92 -0.00 0.10 -4.32 118.94 122.48 3cgh s TRP 260 Ca -0.05 -1.08 -0.08 0.00 -0.00 0.00 0.00 56.10 54.89 3cgh s TRP 260 Cb -0.15 -4.06 0.15 0.00 -0.00 0.00 0.00 33.47 29.42 3cgh s TRP 260 CO -0.03 -1.33 2.00 -1.71 -0.00 0.00 0.00 176.95 175.89 3cgh n ASN 261 N 6.26 5.76 -0.63 5.86 5.15 -0.63 -1.44 115.26 135.58 3cgh n ASN 261 Ca -0.03 -3.11 0.06 0.00 -0.60 0.00 0.00 54.58 50.90 3cgh n ASN 261 Cb 0.44 -1.45 0.16 0.00 -0.53 0.00 0.00 39.78 38.40 3cgh n ASN 261 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3cgh n TYR 262 N 3.39 0.50 -0.86 1.20 9.36 -1.26 -4.64 117.16 124.85 3cgh n TYR 262 Ca 0.45 -0.56 0.05 0.00 3.32 0.00 0.00 57.90 61.16 3cgh n TYR 262 Cb 0.34 -0.07 0.07 0.00 -0.63 0.00 0.00 39.34 39.05 3cgh n TYR 262 CO 0.00 0.00 0.00 1.19 0.22 0.00 0.00 176.86 178.27 3cgh n PHE 263 N 0.30 0.00 0.26 2.98 3.72 -1.26 -4.75 117.46 118.70 3cgh n PHE 263 Ca 0.12 -0.66 0.11 0.00 -0.05 0.00 0.00 57.45 56.98 3cgh n PHE 263 Cb 0.48 -0.10 0.68 0.00 -0.94 0.00 0.00 39.48 39.61 3cgh n PHE 263 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 3cgh h GLU 264 N 0.00 0.00 -0.00 -1.08 5.08 -1.82 -2.38 114.58 114.37 3cgh h GLU 264 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3cgh h GLU 264 Cb 0.90 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.15 3cgh h GLU 264 CO 0.00 0.13 0.00 0.25 -1.00 0.00 0.00 179.01 178.39 3cgh n THR 265 N -3.77 1.84 -0.07 1.13 -2.24 -1.26 -4.91 114.28 105.00 3cgh n THR 265 Ca -0.02 -2.20 0.00 0.00 -2.27 0.00 0.00 64.05 59.56 3cgh n THR 265 Cb 0.24 -0.20 0.00 0.00 -2.10 0.00 0.00 70.33 68.27 3cgh n THR 265 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3cgh n SER 266 N -1.39 2.61 -3.87 3.42 3.41 -0.90 -5.14 113.62 111.77 3cgh n SER 266 Ca 0.15 0.00 -0.30 0.00 -0.26 0.00 0.00 58.87 58.46 3cgh n SER 266 Cb 0.62 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 64.41 3cgh n SER 266 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 3cgh s GLN 267 N 4.86 1.24 0.12 4.33 -1.52 -1.26 -4.39 119.66 123.05 3cgh s GLN 267 Ca 0.00 -1.09 -0.34 0.00 -1.95 0.00 0.00 55.36 51.98 3cgh s GLN 267 Cb 0.00 -2.47 -0.14 0.00 -0.22 0.00 0.00 33.01 30.18 3cgh s GLN 267 CO 0.00 -0.76 1.62 -1.71 -0.25 0.00 0.00 175.29 174.19 3cgh n ASN 268 N 4.69 3.10 0.14 5.90 2.85 0.12 -4.87 115.26 127.20 3cgh n ASN 268 Ca -0.06 1.07 -0.00 0.00 -0.11 0.00 0.00 54.58 55.47 3cgh n ASN 268 Cb 0.43 -1.41 0.19 0.00 1.24 0.00 0.00 39.78 40.24 3cgh n ASN 268 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 3cgh h PRO 269 N 6.40 0.00 -0.54 1.20 0.13 -1.86 -1.86 132.00 135.47 3cgh h PRO 269 Ca -0.46 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.57 3cgh h PRO 269 Cb 1.26 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.37 3cgh h PRO 269 CO 0.89 0.58 -0.09 0.82 -0.23 0.00 0.00 178.00 179.98 3cgh h ILE 270 N 0.00 1.27 0.15 -3.56 2.04 -1.91 -0.65 117.51 114.85 3cgh h ILE 270 Ca -0.01 -1.24 0.01 0.00 1.00 0.00 0.00 64.86 64.63 3cgh h ILE 270 Cb 1.07 0.95 -0.03 0.00 -0.74 0.00 0.00 36.82 38.08 3cgh h ILE 270 CO 0.08 0.44 -0.23 0.22 0.00 0.00 0.00 178.15 178.65 3cgh h TYR 271 N 0.90 -0.62 -0.31 1.37 3.20 -1.76 -0.35 116.97 119.40 3cgh h TYR 271 Ca 0.14 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.01 3cgh h TYR 271 Cb 0.65 0.25 -0.01 0.00 1.54 0.00 0.00 36.73 39.16 3cgh h TYR 271 CO 0.05 -0.33 0.13 0.28 -1.64 0.00 0.00 178.16 176.65 3cgh h VAL 272 N -0.45 1.17 -0.59 1.81 2.07 -1.24 -2.06 116.25 116.97 3cgh h VAL 272 Ca 0.02 -0.52 -0.09 0.00 0.82 0.00 0.00 66.70 66.93 3cgh h VAL 272 Cb 0.46 0.94 -0.02 0.00 -1.52 0.00 0.00 31.29 31.14 3cgh h VAL 272 CO -0.11 0.18 0.00 0.00 0.02 0.00 0.00 177.57 177.66 3cgh h ALA 273 N 0.98 0.79 0.00 1.67 0.00 -1.08 -1.41 119.26 120.21 3cgh h ALA 273 Ca 0.10 -0.31 -0.05 0.00 0.00 0.00 0.00 54.91 54.66 3cgh h ALA 273 Cb 0.16 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3cgh h ALA 273 CO -0.01 0.62 -0.23 1.79 0.00 0.00 0.00 179.25 181.43 3cgh h THR 274 N 0.93 0.72 -0.00 0.00 1.35 -0.91 -2.93 112.91 112.05 3cgh h THR 274 Ca 0.17 -0.97 0.00 0.00 -0.55 0.00 0.00 66.41 65.06 3cgh h THR 274 Cb 0.55 1.61 0.00 0.00 -1.73 0.00 0.00 68.15 68.58 3cgh h THR 274 CO 0.03 0.22 -0.47 0.54 -0.25 0.00 0.00 175.52 175.59 3cgh n ARG 275 N -3.62 0.37 -1.64 4.72 3.00 -0.79 -0.03 116.66 118.68 3cgh n ARG 275 Ca -0.01 -0.24 -0.48 0.00 -0.01 0.00 0.00 57.85 57.11 3cgh n ARG 275 Cb 0.36 -1.50 -0.05 0.00 0.00 0.00 0.00 32.46 31.28 3cgh n ARG 275 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.63 178.29 3cgh n TYR 276 N -1.11 1.95 -1.11 -1.55 4.01 -0.57 -1.43 117.16 117.35 3cgh n TYR 276 Ca 0.08 0.43 -0.04 0.00 -0.16 0.00 0.00 57.90 58.21 3cgh n TYR 276 Cb 0.35 -2.45 -0.02 0.00 -0.31 0.00 0.00 39.34 36.91 3cgh n TYR 276 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 3cgh n ASN 277 N 3.00 -4.21 -4.67 7.72 3.02 -1.26 -0.76 115.26 118.09 3cgh n ASN 277 Ca 0.17 0.09 -0.39 0.00 -0.03 0.00 0.00 54.58 54.43 3cgh n ASN 277 Cb 0.25 -2.05 0.04 0.00 -0.61 0.00 0.00 39.78 37.41 3cgh n ASN 277 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3cgh n GLN 278 N -1.88 1.30 -1.92 3.52 10.64 -0.51 -4.77 117.38 123.75 3cgh n GLN 278 Ca -0.04 0.48 -0.42 0.00 -1.83 0.00 0.00 57.00 55.20 3cgh n GLN 278 Cb 0.25 -2.33 -0.02 0.00 -0.86 0.00 0.00 30.24 27.27 3cgh n GLN 278 CO 0.00 0.00 0.00 0.08 -1.83 0.00 0.00 177.06 175.31 3cgh s VAL 279 N -1.38 2.48 0.42 -0.39 1.01 -1.26 -4.98 120.40 116.30 3cgh s VAL 279 Ca 0.73 0.38 -0.23 0.00 0.00 0.00 0.00 61.98 62.86 3cgh s VAL 279 Cb -0.44 -3.24 -0.09 0.00 0.00 0.00 0.00 36.38 32.61 3cgh s VAL 279 CO 0.49 0.05 1.04 -1.10 0.00 0.00 0.00 175.10 175.58 3cgh s GLN 280 N 0.16 4.07 0.26 2.72 -1.52 -1.26 -4.52 119.66 119.58 3cgh s GLN 280 Ca 0.64 1.46 -0.02 0.00 -1.95 0.00 0.00 55.36 55.50 3cgh s GLN 280 Cb -0.44 -2.42 0.43 0.00 -0.22 0.00 0.00 33.01 30.37 3cgh s GLN 280 CO 0.40 -0.22 1.86 1.15 -0.25 0.00 0.00 175.29 178.23 3cgh h THR 281 N 2.02 1.02 0.00 -0.19 2.02 -1.93 0.25 112.91 116.10 3cgh h THR 281 Ca -0.49 -0.36 0.00 0.00 0.77 0.00 0.00 66.41 66.33 3cgh h THR 281 Cb 1.22 -0.13 0.00 0.00 -1.74 0.00 0.00 68.15 67.50 3cgh h THR 281 CO 0.61 0.19 0.00 -1.54 0.37 0.00 0.00 175.52 175.16 3cgh n SER 282 N -4.58 0.13 -0.70 4.18 3.41 -1.26 -0.94 113.62 113.86 3cgh n SER 282 Ca 0.16 0.54 0.06 0.00 -0.26 0.00 0.00 58.87 59.37 3cgh n SER 282 Cb 0.24 -0.56 0.18 0.00 -0.26 0.00 0.00 64.21 63.81 3cgh n SER 282 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3cgh n ASP 283 N -1.65 3.21 -2.61 4.04 8.00 0.84 -4.51 116.55 123.87 3cgh n ASP 283 Ca 0.02 -2.34 -0.03 0.00 0.71 0.00 0.00 54.79 53.16 3cgh n ASP 283 Cb 0.15 -0.33 0.05 0.00 -0.02 0.00 0.00 41.12 40.96 3cgh n ASP 283 CO 0.00 0.00 0.00 1.57 -0.39 0.00 0.00 177.20 178.38 3cgh n HIS 284 N 0.13 1.34 -1.16 1.24 -0.00 -0.12 -4.89 115.22 111.76 3cgh n HIS 284 Ca 0.14 -2.02 -0.06 0.00 0.46 0.00 0.00 57.72 56.25 3cgh n HIS 284 Cb 0.57 -0.24 -0.02 0.00 -0.12 0.00 0.00 29.99 30.18 3cgh n HIS 284 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 3cgh n GLY 285 N -0.54 0.76 1.52 1.57 0.00 -1.22 -2.35 105.19 104.93 3cgh n GLY 285 Ca 0.12 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.81 3cgh n GLY 285 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cgh n GLY 286 N -1.49 0.61 3.26 -0.02 0.00 -0.85 -5.04 105.19 101.66 3cgh n GLY 286 Ca -0.06 -0.10 -0.27 0.00 0.00 0.00 0.00 46.02 45.59 3cgh n GLY 286 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3cgh s VAL 287 N -2.00 1.75 0.49 1.61 -7.23 -0.99 -4.95 120.40 109.07 3cgh s VAL 287 Ca 0.00 -1.15 -0.23 0.00 -1.81 0.00 0.00 61.98 58.79 3cgh s VAL 287 Cb 0.00 -1.50 -0.07 0.00 0.56 0.00 0.00 36.38 35.38 3cgh s VAL 287 CO 0.00 0.31 1.29 -2.84 -0.31 0.00 0.00 175.10 173.55 3cgh s PRO 288 N -1.00 3.53 -0.13 4.82 0.02 -1.26 -4.66 135.00 136.32 3cgh s PRO 288 Ca 0.08 2.09 -0.15 0.00 0.02 0.00 0.00 61.00 63.03 3cgh s PRO 288 Cb -0.09 -2.42 -0.05 0.00 0.02 0.00 0.00 34.50 31.96 3cgh s PRO 288 CO 0.01 -0.83 0.37 0.00 -0.33 0.00 0.00 177.00 176.22 3cgh n LEU 290 N 3.42 2.55 -0.35 0.00 4.77 -1.26 -4.64 117.00 121.49 3cgh n LEU 290 Ca -0.10 -1.23 0.13 0.00 -0.03 0.00 0.00 56.01 54.77 3cgh n LEU 290 Cb 0.52 -0.08 0.33 0.00 -2.33 0.00 0.00 43.42 41.86 3cgh n LEU 290 CO 0.41 0.51 0.63 0.35 -1.33 0.00 0.00 177.39 177.95 3cgh n THR 291 N 0.90 0.00 -1.89 -5.08 -2.24 -1.26 -4.84 114.28 99.87 3cgh n THR 291 Ca 0.11 -0.18 0.00 0.00 -2.27 0.00 0.00 64.05 61.71 3cgh n THR 291 Cb 0.42 0.60 0.00 0.00 -2.10 0.00 0.00 70.33 69.25 3cgh n THR 291 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3cgh n GLY 292 N 1.33 -2.28 0.00 3.38 0.00 -1.26 -3.91 105.19 102.45 3cgh n GLY 292 Ca 0.13 -1.65 0.00 0.00 0.00 0.00 0.00 46.02 44.49 3cgh n GLY 292 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cgh n GLY 293 N -0.22 0.58 0.29 -0.02 0.00 0.95 -4.55 105.19 102.23 3cgh n GLY 293 Ca 0.00 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.18 3cgh n GLY 293 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3cgh h ASP 294 N 0.00 0.00 -3.64 1.61 3.32 -0.85 -3.41 116.42 113.45 3cgh h ASP 294 Ca 0.00 0.00 -0.33 0.00 0.02 0.00 0.00 57.03 56.72 3cgh h ASP 294 Cb 0.00 0.00 -0.32 0.00 0.22 0.00 0.00 39.33 39.23 3cgh h ASP 294 CO 0.00 0.05 -0.75 -0.89 -1.72 0.00 0.00 179.24 175.94 3cgh s THR 295 N -4.28 0.25 0.45 0.35 2.01 -1.23 -0.51 115.64 112.68 3cgh s THR 295 Ca -0.04 -0.04 0.05 0.00 0.31 0.00 0.00 61.69 61.98 3cgh s THR 295 Cb 0.13 -0.28 -0.05 0.00 0.01 0.00 0.00 72.50 72.31 3cgh s THR 295 CO 0.54 0.12 0.03 -1.00 -0.69 0.00 0.00 174.62 173.62 3cgh s HIS 296 N 0.53 2.29 0.35 4.92 3.76 -0.30 -4.69 115.29 122.15 3cgh s HIS 296 Ca -0.05 -0.76 -0.28 0.00 -0.15 0.00 0.00 55.06 53.82 3cgh s HIS 296 Cb -0.09 -1.74 -0.10 0.00 1.11 0.00 0.00 32.58 31.77 3cgh s HIS 296 CO -0.01 0.34 1.25 0.00 -0.85 0.00 0.00 174.74 175.47 3cgh s ALA 297 N -2.76 3.38 0.43 -1.40 0.00 -0.40 -0.35 121.76 120.66 3cgh s ALA 297 Ca 0.26 1.14 -0.22 0.00 0.00 0.00 0.00 51.96 53.14 3cgh s ALA 297 Cb 0.07 -3.44 -0.09 0.00 0.00 0.00 0.00 23.12 19.66 3cgh s ALA 297 CO 0.13 -0.58 1.03 0.00 0.00 0.00 0.00 175.76 176.34 3cgh s ALA 298 N -1.22 3.01 0.35 0.00 0.00 -0.14 -4.41 121.76 119.35 3cgh s ALA 298 Ca 0.51 0.62 0.05 0.00 0.00 0.00 0.00 51.96 53.14 3cgh s ALA 298 Cb -0.37 -3.25 0.69 0.00 0.00 0.00 0.00 23.12 20.20 3cgh s ALA 298 CO 0.48 -0.18 1.95 0.00 0.00 0.00 0.00 175.76 178.00 3cgh h ALA 299 N 2.13 1.66 0.47 0.00 0.00 -1.89 -3.25 119.26 118.38 3cgh h ALA 299 Ca -0.49 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.38 3cgh h ALA 299 Cb 1.21 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.80 3cgh h ALA 299 CO 0.61 0.22 -0.23 -0.44 0.00 0.00 0.00 179.25 179.41 3cgh h ASP 300 N 0.82 -0.54 -0.66 0.00 5.19 -1.92 -0.40 116.42 118.91 3cgh h ASP 300 Ca 0.33 -0.07 0.03 0.00 -0.62 0.00 0.00 57.03 56.70 3cgh h ASP 300 Cb 0.25 0.14 -0.04 0.00 0.18 0.00 0.00 39.33 39.87 3cgh h ASP 300 CO -0.12 -0.24 0.43 -0.29 -3.12 0.00 0.00 179.24 175.91 3cgh h ILE 301 N -0.84 1.11 -0.20 0.35 2.10 -1.63 -2.47 117.51 115.93 3cgh h ILE 301 Ca -0.06 -0.28 -0.16 0.00 1.08 0.00 0.00 64.86 65.44 3cgh h ILE 301 Cb 0.57 0.23 -0.01 0.00 -1.09 0.00 0.00 36.82 36.53 3cgh h ILE 301 CO 0.11 0.15 -0.55 0.40 -1.08 0.00 0.00 178.15 177.18 3cgh h ILE 302 N 0.80 1.32 -0.49 2.19 2.04 -1.52 -2.84 117.51 119.00 3cgh h ILE 302 Ca 0.26 -1.79 0.04 0.00 1.00 0.00 0.00 64.86 64.37 3cgh h ILE 302 Cb 0.04 1.75 -0.04 0.00 -0.74 0.00 0.00 36.82 37.83 3cgh h ILE 302 CO -0.07 0.56 0.25 0.00 0.00 0.00 0.00 178.15 178.89 3cgh n TYR 304 N -4.88 0.00 0.00 0.00 4.02 -1.00 -1.80 117.16 113.50 3cgh n TYR 304 Ca 0.04 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.93 3cgh n TYR 304 Cb 0.13 -0.01 0.00 0.00 -0.02 0.00 0.00 39.34 39.43 3cgh n TYR 304 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 3cgh n ASN 306 N -0.01 0.00 -0.36 7.72 3.02 0.80 -1.10 115.26 125.34 3cgh n ASN 306 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 3cgh n ASN 306 Cb 0.03 0.00 0.14 0.00 -0.61 0.00 0.00 39.78 39.34 3cgh n ASN 306 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 3cgh h GLY 307 N 0.00 1.41 0.07 7.41 0.00 -1.60 -2.11 103.07 108.26 3cgh h GLY 307 Ca 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 47.33 46.86 3cgh h GLY 307 CO 0.00 0.39 0.00 -1.72 0.00 0.00 0.00 176.54 175.21 3cgh n TYR 308 N -4.48 0.05 -3.92 5.60 4.01 -0.26 -4.01 117.16 114.16 3cgh n TYR 308 Ca 0.13 -0.03 -0.28 0.00 -0.16 0.00 0.00 57.90 57.57 3cgh n TYR 308 Cb 0.11 0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.14 3cgh n TYR 308 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 3cgh n LYS 309 N -0.32 -4.45 -2.71 -0.72 4.76 -0.79 -4.84 118.16 109.09 3cgh n LYS 309 Ca 0.18 0.52 -0.43 0.00 -2.87 0.00 0.00 58.31 55.71 3cgh n LYS 309 Cb 0.21 -5.11 -0.03 0.00 -1.84 0.00 0.00 35.03 28.27 3cgh n LYS 309 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 3cgh s ASP 310 N -3.84 6.99 0.00 4.39 -1.08 -1.26 -4.91 116.67 116.95 3cgh s ASP 310 Ca 0.34 1.19 0.14 0.00 -0.52 0.00 0.00 52.55 53.70 3cgh s ASP 310 Cb -0.18 -2.52 0.65 0.00 -1.46 0.00 0.00 42.92 39.42 3cgh s ASP 310 CO 0.86 -0.70 1.39 0.59 0.52 0.00 0.00 175.17 177.83 3cgh n ASN 311 N 6.41 0.00 0.06 -0.34 3.02 -1.26 -1.86 115.26 121.30 3cgh n ASN 311 Ca 0.10 0.24 0.13 0.00 -0.03 0.00 0.00 54.58 55.02 3cgh n ASN 311 Cb 0.47 -0.36 0.48 0.00 -0.61 0.00 0.00 39.78 39.75 3cgh n ASN 311 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3cgh n ARG 312 N -1.36 0.14 -0.16 3.52 1.74 -1.26 -4.22 116.66 115.06 3cgh n ARG 312 Ca 0.05 0.18 -0.02 0.00 -0.77 0.00 0.00 57.85 57.29 3cgh n ARG 312 Cb 0.13 -1.69 0.07 0.00 -1.02 0.00 0.00 32.46 29.95 3cgh n ARG 312 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3cgh h ARG 313 N 0.00 0.29 0.00 5.56 3.08 -1.78 -0.13 114.38 121.40 3cgh h ARG 313 Ca 0.00 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.01 3cgh h ARG 313 Cb 0.56 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.54 3cgh h ARG 313 CO 0.00 0.19 -0.10 1.05 -1.07 0.00 0.00 179.97 180.04 3cgh h GLU 314 N 0.30 0.00 0.00 0.04 4.11 -1.82 -1.17 114.58 116.04 3cgh h GLU 314 Ca 0.25 0.00 -0.21 0.00 0.07 0.00 0.00 59.36 59.47 3cgh h GLU 314 Cb 0.31 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.53 3cgh h GLU 314 CO -0.29 0.10 -1.00 0.87 0.07 0.00 0.00 179.01 178.76 3cgh h LYS 315 N 0.00 0.00 0.13 1.06 1.79 -1.29 -3.38 116.57 114.88 3cgh h LYS 315 Ca -0.00 0.00 -0.35 0.00 -2.18 0.00 0.00 60.65 58.11 3cgh h LYS 315 Cb 0.40 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.04 3cgh h LYS 315 CO 0.01 0.96 -1.91 0.74 -1.08 0.00 0.00 179.45 178.18 3cgh h PHE 316 N 0.00 0.49 -3.58 -1.35 -1.00 -0.82 -3.44 116.94 107.24 3cgh h PHE 316 Ca -0.02 -0.36 -0.51 0.00 2.81 0.00 0.00 57.97 59.89 3cgh h PHE 316 Cb 1.76 -0.02 -0.19 0.00 3.61 0.00 0.00 35.95 41.11 3cgh h PHE 316 CO 0.00 1.69 -0.79 -0.06 -1.61 0.00 0.00 178.31 177.54 3cgh s PHE 317 N -2.57 1.70 0.48 -0.55 0.08 -0.49 -0.71 117.98 115.91 3cgh s PHE 317 Ca -0.19 -0.47 -0.15 0.00 0.12 0.00 0.00 56.93 56.24 3cgh s PHE 317 Cb 0.06 -0.88 -0.08 0.00 -0.57 0.00 0.00 43.02 41.55 3cgh s PHE 317 CO 0.79 0.24 0.92 0.95 -0.10 0.00 0.00 175.22 178.02 3cgh s THR 318 N -1.74 4.60 0.62 0.64 -4.23 -0.39 -4.61 115.64 110.53 3cgh s THR 318 Ca 0.11 1.06 -0.19 0.00 -1.18 0.00 0.00 61.69 61.48 3cgh s THR 318 Cb -0.07 -3.72 -0.02 0.00 1.34 0.00 0.00 72.50 70.03 3cgh s THR 318 CO 0.05 -0.62 1.27 -0.54 -0.54 0.00 0.00 174.62 174.24 3cgh s LYS 319 N -3.96 2.75 0.69 3.99 1.02 -1.26 -3.82 119.74 119.15 3cgh s LYS 319 Ca 0.57 2.00 -0.11 0.00 0.02 0.00 0.00 55.97 58.45 3cgh s LYS 319 Cb -0.10 -1.91 0.01 0.00 -0.52 0.00 0.00 37.83 35.30 3cgh s LYS 319 CO 0.30 -1.43 1.08 -1.54 -0.92 0.00 0.00 175.35 172.85 3cgh s SER 320 N -1.41 5.56 0.00 2.83 1.04 0.86 -4.53 113.70 118.04 3cgh s SER 320 Ca 0.80 1.23 0.20 0.00 0.48 0.00 0.00 55.95 58.66 3cgh s SER 320 Cb -0.36 -2.08 0.42 0.00 0.10 0.00 0.00 66.02 64.10 3cgh s SER 320 CO 0.38 -1.28 1.36 -0.62 0.98 0.00 0.00 173.24 174.06 3cgh n GLU 321 N -2.98 2.44 -2.64 4.02 1.02 0.11 -4.84 120.64 117.76 3cgh n GLU 321 Ca 0.07 -2.24 -0.41 0.00 -0.02 0.00 0.00 57.16 54.56 3cgh n GLU 321 Cb 0.56 -1.47 -0.04 0.00 -0.02 0.00 0.00 31.44 30.48 3cgh n GLU 321 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 3cgh s TRP 322 N -1.28 3.70 0.04 -0.32 0.52 -1.25 -4.96 118.94 115.39 3cgh s TRP 322 Ca 0.36 1.68 -0.35 0.00 0.02 0.00 0.00 56.10 57.82 3cgh s TRP 322 Cb 0.21 -3.16 -0.14 0.00 -1.15 0.00 0.00 33.47 29.23 3cgh s TRP 322 CO 0.28 -0.19 1.63 0.00 0.02 0.00 0.00 176.95 178.70 3cgh n ALA 323 N 2.95 0.69 -0.95 0.98 0.00 -1.26 -2.07 120.51 120.85 3cgh n ALA 323 Ca 0.04 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.88 3cgh n ALA 323 Cb 0.48 -2.33 0.00 0.00 0.00 0.00 0.00 19.45 17.60 3cgh n ALA 323 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3cgh n GLY 324 N 3.60 0.36 2.91 0.00 0.00 -1.26 -4.98 105.19 105.82 3cgh n GLY 324 Ca 0.20 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.91 3cgh n GLY 324 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3cgh s GLN 325 N -0.73 1.41 0.17 1.61 -0.21 -0.88 -5.00 119.66 116.04 3cgh s GLN 325 Ca 0.00 -1.13 -0.11 0.00 0.02 0.00 0.00 55.36 54.14 3cgh s GLN 325 Cb 0.00 -2.57 0.07 0.00 1.00 0.00 0.00 33.01 31.51 3cgh s GLN 325 CO 0.00 -0.72 1.69 -0.44 -2.12 0.00 0.00 175.29 173.70 3cgh h ASP 326 N 7.93 0.88 -3.21 5.90 3.32 -1.88 -3.38 116.42 125.97 3cgh h ASP 326 Ca -0.15 -0.22 -0.49 0.00 0.02 0.00 0.00 57.03 56.20 3cgh h ASP 326 Cb 1.05 -0.23 -0.37 0.00 0.22 0.00 0.00 39.33 40.00 3cgh h ASP 326 CO 0.44 0.87 -0.79 -0.31 -1.72 0.00 0.00 179.24 177.73 3cgh s TYR 327 N -5.37 1.12 -0.14 4.55 2.02 -1.26 -0.10 117.35 118.18 3cgh s TYR 327 Ca -0.13 -0.49 -0.05 0.00 -0.37 0.00 0.00 57.07 56.04 3cgh s TYR 327 Cb 0.13 -1.04 0.07 0.00 -0.40 0.00 0.00 41.96 40.72 3cgh s TYR 327 CO 0.81 -0.43 0.27 0.08 -1.57 0.00 0.00 175.55 174.71 3cgh s VAL 328 N 1.83 -0.42 0.00 0.71 1.01 -1.26 -4.98 120.40 117.28 3cgh s VAL 328 Ca 0.05 0.24 0.00 0.00 0.00 0.00 0.00 61.98 62.27 3cgh s VAL 328 Cb -0.12 -0.47 0.00 0.00 0.00 0.00 0.00 36.38 35.78 3cgh s VAL 328 CO -0.07 0.09 0.00 0.61 0.00 0.00 0.00 175.10 175.73 3cgh n GLY 329 N 5.35 0.69 3.34 4.51 0.00 -1.26 -0.19 105.19 117.64 3cgh n GLY 329 Ca -0.06 -0.13 -0.30 0.00 0.00 0.00 0.00 46.02 45.52 3cgh n GLY 329 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3cgh s ARG 331 N 3.04 1.90 0.07 1.61 3.52 -1.26 -4.14 118.95 123.69 3cgh s ARG 331 Ca 0.00 -1.06 -0.16 0.00 -0.13 0.00 0.00 55.73 54.38 3cgh s ARG 331 Cb 0.00 -2.01 -0.06 0.00 -1.56 0.00 0.00 34.95 31.32 3cgh s ARG 331 CO 0.00 0.53 0.51 1.03 -0.81 0.00 0.00 175.30 176.56 3cgh s ARG 332 N -1.08 4.05 -0.56 5.12 0.52 -1.26 -4.51 118.95 121.23 3cgh s ARG 332 Ca 0.11 0.57 -0.03 0.00 -0.52 0.00 0.00 55.73 55.86 3cgh s ARG 332 Cb -0.10 -3.15 -0.04 0.00 0.52 0.00 0.00 34.95 32.18 3cgh s ARG 332 CO 0.01 0.62 0.49 0.41 0.02 0.00 0.00 175.30 176.85 3cgh n GLY 333 N 1.51 -0.19 3.44 -3.53 0.00 -1.26 -4.50 105.19 100.66 3cgh n GLY 333 Ca -0.10 0.18 -0.22 0.00 0.00 0.00 0.00 46.02 45.87 3cgh n GLY 333 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3cgh s ILE 334 N -3.21 0.57 -0.33 -0.61 -4.36 -1.26 -0.58 121.20 111.42 3cgh s ILE 334 Ca 0.24 -2.00 -0.29 0.00 -0.26 0.00 0.00 60.65 58.35 3cgh s ILE 334 Cb -0.03 -2.47 -0.01 0.00 1.25 0.00 0.00 42.46 41.20 3cgh s ILE 334 CO 0.39 0.00 1.54 -0.69 0.24 0.00 0.00 174.94 176.42 3cgh s VAL 335 N -3.37 3.78 -0.03 8.37 1.01 -1.26 -4.78 120.40 124.13 3cgh s VAL 335 Ca 0.30 0.83 -0.30 0.00 0.00 0.00 0.00 61.98 62.82 3cgh s VAL 335 Cb 0.04 -3.94 -0.04 0.00 0.00 0.00 0.00 36.38 32.43 3cgh s VAL 335 CO 0.16 -0.52 1.30 -0.63 0.00 0.00 0.00 175.10 175.41 3cgh s ILE 336 N 5.57 3.98 0.75 2.22 1.01 -1.26 -5.00 121.20 128.47 3cgh s ILE 336 Ca 0.67 1.33 -0.11 0.00 0.00 0.00 0.00 60.65 62.54 3cgh s ILE 336 Cb -0.19 -3.85 0.04 0.00 0.01 0.00 0.00 42.46 38.47 3cgh s ILE 336 CO 0.31 -0.00 1.10 -2.16 0.00 0.00 0.00 174.94 174.18 3cgh s PRO 337 N 2.33 2.48 0.17 2.79 0.04 -1.26 -4.53 135.00 137.02 3cgh s PRO 337 Ca 0.60 0.55 -0.32 0.00 0.04 0.00 0.00 61.00 61.87 3cgh s PRO 337 Cb -0.28 -1.97 -0.11 0.00 0.04 0.00 0.00 34.50 32.18 3cgh s PRO 337 CO 0.24 -1.32 1.68 -1.21 0.04 0.00 0.00 177.00 176.43 3cgh s GLU 338 N -5.26 4.16 0.19 4.56 0.41 -1.26 -3.77 118.70 117.73 3cgh s GLU 338 Ca 0.59 2.50 -0.12 0.00 -0.41 0.00 0.00 54.97 57.53 3cgh s GLU 338 Cb -0.13 -3.23 0.17 0.00 -1.78 0.00 0.00 34.13 29.17 3cgh s GLU 338 CO 0.53 -0.72 1.77 1.25 -0.49 0.00 0.00 175.26 177.61 3cgh h LEU 339 N 7.24 0.31 -1.24 1.80 5.85 -1.93 -1.17 115.31 126.16 3cgh h LEU 339 Ca -0.43 0.04 -0.07 0.00 0.84 0.00 0.00 57.88 58.26 3cgh h LEU 339 Cb 1.20 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 42.21 3cgh h LEU 339 CO 0.94 0.21 -0.30 0.11 -0.34 0.00 0.00 178.44 179.06 3cgh h LYS 340 N 0.46 0.14 0.00 1.25 6.56 -1.95 -0.74 116.57 122.28 3cgh h LYS 340 Ca 0.24 -0.05 -0.10 0.00 -1.06 0.00 0.00 60.65 59.68 3cgh h LYS 340 Cb 0.20 -0.01 -0.02 0.00 -0.57 0.00 0.00 32.23 31.83 3cgh h LYS 340 CO -0.20 0.43 -0.85 0.25 -2.06 0.00 0.00 179.45 177.02 3cgh n THR 341 N -4.14 1.47 0.00 -0.16 -2.24 -1.12 -4.86 114.28 103.21 3cgh n THR 341 Ca -0.01 0.11 0.00 0.00 -2.27 0.00 0.00 64.05 61.88 3cgh n THR 341 Cb 0.37 -2.24 0.00 0.00 -2.10 0.00 0.00 70.33 66.36 3cgh n THR 341 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3cgh n THR 342 N -4.54 0.00 -0.33 4.28 -2.24 -0.86 -4.87 114.28 105.73 3cgh n THR 342 Ca -0.18 0.00 0.02 0.00 -2.27 0.00 0.00 64.05 61.62 3cgh n THR 342 Cb 0.44 -0.41 0.20 0.00 -2.10 0.00 0.00 70.33 68.47 3cgh n THR 342 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 3cgh h GLY 343 N 0.00 1.38 2.00 3.38 0.00 -1.05 -1.58 103.07 107.20 3cgh h GLY 343 Ca 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 47.33 46.88 3cgh h GLY 343 CO 0.00 0.35 0.00 -2.39 0.00 0.00 0.00 176.54 174.50 3cgh n HIS 344 N -4.47 0.79 0.29 5.60 1.44 -0.30 -2.80 115.22 115.77 3cgh n HIS 344 Ca 0.14 0.35 0.12 0.00 -2.01 0.00 0.00 57.72 56.32 3cgh n HIS 344 Cb 0.16 -1.06 0.20 0.00 0.12 0.00 0.00 29.99 29.41 3cgh n HIS 344 CO 0.00 0.00 0.00 0.87 -2.81 0.00 0.00 176.34 174.40 3cgh h LYS 345 N 0.00 0.00 -7.16 -1.40 1.57 -1.56 -3.43 116.57 104.59 3cgh h LYS 345 Ca 0.00 0.00 -0.48 0.00 -1.87 0.00 0.00 60.65 58.30 3cgh h LYS 345 Cb 0.22 0.00 0.04 0.00 0.08 0.00 0.00 32.23 32.57 3cgh h LYS 345 CO 0.00 0.00 0.38 0.71 -0.57 0.00 0.00 179.45 179.97 3cgh s TYR 346 N -3.20 3.12 0.37 -1.35 2.02 -1.12 0.05 117.35 117.23 3cgh s TYR 346 Ca 0.07 1.52 -0.28 0.00 -0.37 0.00 0.00 57.07 58.02 3cgh s TYR 346 Cb 0.07 -2.96 -0.11 0.00 -0.40 0.00 0.00 41.96 38.55 3cgh s TYR 346 CO 0.67 -0.82 1.39 0.43 -1.57 0.00 0.00 175.55 175.65 3cgh n SER 347 N -1.61 3.27 -4.99 2.29 7.64 0.73 -4.74 113.62 116.22 3cgh n SER 347 Ca 0.08 1.21 -0.21 0.00 1.01 0.00 0.00 58.87 60.95 3cgh n SER 347 Cb 0.53 -1.56 0.03 0.00 -1.01 0.00 0.00 64.21 62.21 3cgh n SER 347 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 3cgh s GLY 348 N -0.25 1.95 -0.17 0.23 0.00 -1.25 -1.27 107.32 106.56 3cgh s GLY 348 Ca 0.55 -1.84 -0.29 0.00 0.00 0.00 0.00 44.72 43.13 3cgh s GLY 348 CO 0.62 -1.75 1.04 0.14 0.00 0.00 0.00 173.10 173.15 3cgh s VAL 349 N -2.67 4.70 -1.00 1.40 1.01 -1.26 -1.26 120.40 121.33 3cgh s VAL 349 Ca 0.52 2.02 -0.21 0.00 0.00 0.00 0.00 61.98 64.31 3cgh s VAL 349 Cb -0.05 -4.30 0.08 0.00 0.00 0.00 0.00 36.38 32.11 3cgh s VAL 349 CO 0.33 -0.10 1.35 0.21 0.00 0.00 0.00 175.10 176.88 3cgh s ASN 350 N 1.18 6.56 0.02 3.32 2.47 0.11 -4.69 114.94 123.91 3cgh s ASN 350 Ca 0.46 -1.69 -0.09 0.00 0.42 0.00 0.00 52.86 51.96 3cgh s ASN 350 Cb -0.17 -2.51 0.00 0.00 -1.45 0.00 0.00 41.25 37.13 3cgh s ASN 350 CO 0.11 -1.34 0.18 -0.51 -3.72 0.00 0.00 177.10 171.82 3cgh s ILE 351 N 4.15 0.10 0.33 -5.21 2.07 -1.26 -4.81 121.20 116.57 3cgh s ILE 351 Ca 0.42 -0.82 0.08 0.00 -1.41 0.00 0.00 60.65 58.92 3cgh s ILE 351 Cb -0.02 -0.75 -0.06 0.00 0.13 0.00 0.00 42.46 41.76 3cgh s ILE 351 CO -0.09 -0.45 -0.08 0.00 -1.91 0.00 0.00 174.94 172.41 3cgh s ALA 352 N -2.13 2.77 0.54 1.50 0.00 -1.26 -4.96 121.76 118.21 3cgh s ALA 352 Ca -0.08 -2.04 0.21 0.00 0.00 0.00 0.00 51.96 50.04 3cgh s ALA 352 Cb -0.03 0.04 1.40 0.00 0.00 0.00 0.00 23.12 24.53 3cgh s ALA 352 CO -0.02 0.02 2.12 -1.35 0.00 0.00 0.00 175.76 176.54 3cgh h PRO 353 N 2.09 0.00 -0.02 0.00 0.11 -1.90 -2.27 132.00 130.01 3cgh h PRO 353 Ca -0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.70 3cgh h PRO 353 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3cgh h PRO 353 CO 0.70 0.00 -0.18 0.25 -0.21 0.00 0.00 178.00 178.55 3cgh n THR 354 N -4.35 0.00 -1.62 -1.15 -2.24 -1.26 0.14 114.28 103.80 3cgh n THR 354 Ca 0.00 -0.35 -0.39 0.00 -2.27 0.00 0.00 64.05 61.05 3cgh n THR 354 Cb 0.23 1.17 0.04 0.00 -2.10 0.00 0.00 70.33 69.66 3cgh n THR 354 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3cgh n SER 355 N 0.53 0.93 -4.31 3.42 7.64 -0.86 -4.22 113.62 116.76 3cgh n SER 355 Ca 0.13 0.87 -0.30 0.00 1.01 0.00 0.00 58.87 60.58 3cgh n SER 355 Cb 0.50 -1.38 0.16 0.00 -1.01 0.00 0.00 64.21 62.48 3cgh n SER 355 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 3cgh s PRO 356 N -2.55 0.96 -0.17 1.43 0.04 -1.26 -4.56 135.00 128.88 3cgh s PRO 356 Ca 0.72 -0.30 -0.03 0.00 0.04 0.00 0.00 61.00 61.42 3cgh s PRO 356 Cb -0.45 -1.88 -0.02 0.00 0.04 0.00 0.00 34.50 32.19 3cgh s PRO 356 CO 0.50 -2.21 -0.05 -0.51 0.04 0.00 0.00 177.00 174.77 3cgh s LEU 357 N -5.81 3.11 0.26 -3.56 1.43 -0.52 -4.93 118.68 108.66 3cgh s LEU 357 Ca 0.71 -0.21 -0.29 0.00 -1.03 0.00 0.00 54.13 53.31 3cgh s LEU 357 Cb -0.05 -1.75 -0.09 0.00 0.03 0.00 0.00 46.19 44.32 3cgh s LEU 357 CO 0.52 0.13 0.95 -0.31 0.23 0.00 0.00 176.35 177.87 3cgh s TYR 358 N 0.60 3.90 -0.05 0.29 2.02 -1.26 0.01 117.35 122.85 3cgh s TYR 358 Ca -0.03 1.88 0.11 0.00 -0.37 0.00 0.00 57.07 58.66 3cgh s TYR 358 Cb -0.15 -2.99 -0.17 0.00 -0.40 0.00 0.00 41.96 38.26 3cgh s TYR 358 CO 0.03 0.34 0.18 0.91 -1.57 0.00 0.00 175.55 175.43 3cgh n TRP 359 N 1.29 0.00 -3.99 2.71 8.01 0.60 -4.92 117.44 121.13 3cgh n TRP 359 Ca -0.01 0.00 -0.09 0.00 -1.31 0.00 0.00 57.50 56.09 3cgh n TRP 359 Cb 0.47 -0.38 -0.05 0.00 -2.01 0.00 0.00 31.31 29.34 3cgh n TRP 359 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.69 177.22 3cgh s ASN 361 N -3.76 -0.10 0.22 -0.99 2.20 -1.26 -5.03 114.94 106.22 3cgh s ASN 361 Ca -0.05 -0.91 -0.08 0.00 -0.94 0.00 0.00 52.86 50.88 3cgh s ASN 361 Cb 0.06 0.59 0.18 0.00 -2.00 0.00 0.00 41.25 40.08 3cgh s ASN 361 CO 0.48 -1.14 1.82 0.00 -2.94 0.00 0.00 177.10 175.32 3cgh h ALA 362 N 2.25 1.07 -0.56 3.54 0.00 -1.84 -2.78 119.26 120.95 3cgh h ALA 362 Ca -0.26 -0.16 0.10 0.00 0.00 0.00 0.00 54.91 54.60 3cgh h ALA 362 Cb 1.25 -0.33 -0.08 0.00 0.00 0.00 0.00 17.79 18.63 3cgh h ALA 362 CO 0.35 0.63 0.10 0.00 0.00 0.00 0.00 179.25 180.33 3cgh h ALA 363 N 1.22 0.63 -0.68 0.00 0.00 -1.89 -2.07 119.26 116.47 3cgh h ALA 363 Ca 0.29 0.13 0.04 0.00 0.00 0.00 0.00 54.91 55.36 3cgh h ALA 363 Cb 0.10 0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.02 3cgh h ALA 363 CO -0.04 -0.32 0.41 1.49 0.00 0.00 0.00 179.25 180.80 3cgh h GLU 364 N 0.23 0.77 -0.43 0.00 4.81 -1.84 -0.53 114.58 117.60 3cgh h GLU 364 Ca 0.29 -0.05 0.03 0.00 -0.13 0.00 0.00 59.36 59.50 3cgh h GLU 364 Cb 0.42 -0.17 -0.04 0.00 0.63 0.00 0.00 28.75 29.59 3cgh h GLU 364 CO -0.38 0.51 0.22 0.28 -0.73 0.00 0.00 179.01 178.91 3cgh h VAL 365 N 0.80 0.98 -0.53 0.32 2.07 -1.35 0.13 116.25 118.66 3cgh h VAL 365 Ca 0.28 -0.15 -0.01 0.00 0.82 0.00 0.00 66.70 67.64 3cgh h VAL 365 Cb 0.06 0.50 -0.02 0.00 -1.52 0.00 0.00 31.29 30.31 3cgh h VAL 365 CO -0.13 0.08 0.28 0.00 0.02 0.00 0.00 177.57 177.83 3cgh h ALA 366 N 1.22 0.69 0.00 1.67 0.00 -0.70 -1.42 119.26 120.71 3cgh h ALA 366 Ca 0.18 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 3cgh h ALA 366 Cb 0.08 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3cgh h ALA 366 CO -0.12 0.22 -0.40 0.74 0.00 0.00 0.00 179.25 179.69 3cgh h PHE 367 N 0.71 0.00 -0.57 0.00 0.04 -0.60 -0.01 116.94 116.51 3cgh h PHE 367 Ca 0.19 0.00 -0.06 0.00 2.80 0.00 0.00 57.97 60.90 3cgh h PHE 367 Cb 0.07 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.20 3cgh h PHE 367 CO -0.01 0.40 0.12 -0.07 -0.60 0.00 0.00 178.31 178.15 3cgh h LEU 368 N 0.00 0.88 -0.54 1.54 3.38 -0.39 -1.05 115.31 119.13 3cgh h LEU 368 Ca -0.00 -0.24 -0.14 0.00 0.09 0.00 0.00 57.88 57.58 3cgh h LEU 368 Cb 0.82 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 3cgh h LEU 368 CO 0.05 0.90 -0.37 0.03 0.09 0.00 0.00 178.44 179.14 3cgh h ARG 369 N 0.83 0.78 -0.11 1.13 3.08 -0.74 -0.03 114.38 119.31 3cgh h ARG 369 Ca 0.18 -0.39 0.01 0.00 0.07 0.00 0.00 59.98 59.85 3cgh h ARG 369 Cb 0.37 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.41 3cgh h ARG 369 CO 0.01 1.02 0.04 0.00 -1.07 0.00 0.00 179.97 179.96 3cgh h ALA 370 N 0.94 0.12 -0.40 0.04 0.00 -0.86 -1.31 119.26 117.80 3cgh h ALA 370 Ca 0.06 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 3cgh h ALA 370 Cb 0.92 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 3cgh h ALA 370 CO 0.08 -0.41 -0.04 1.49 0.00 0.00 0.00 179.25 180.37 3cgh h GLU 371 N 0.10 0.73 -0.52 0.00 4.81 -0.99 -0.40 114.58 118.30 3cgh h GLU 371 Ca 0.05 -0.25 0.10 0.00 -0.13 0.00 0.00 59.36 59.12 3cgh h GLU 371 Cb 0.02 -0.06 -0.08 0.00 0.63 0.00 0.00 28.75 29.26 3cgh h GLU 371 CO -0.04 0.84 0.03 0.78 -0.73 0.00 0.00 179.01 179.89 3cgh h GLY 372 N 0.55 0.58 0.19 1.92 0.00 -0.75 0.33 103.07 105.88 3cgh h GLY 372 Ca 0.11 0.04 -0.00 0.00 0.00 0.00 0.00 47.33 47.48 3cgh h GLY 372 CO 0.03 -0.13 -0.01 -1.61 0.00 0.00 0.00 176.54 174.82 3cgh h GLN 373 N 0.15 -0.02 -0.35 4.80 5.75 -1.14 -0.34 115.11 123.96 3cgh h GLN 373 Ca 0.27 0.00 -0.16 0.00 -0.15 0.00 0.00 58.65 58.61 3cgh h GLN 373 Cb 0.40 0.01 -0.00 0.00 1.07 0.00 0.00 27.48 28.95 3cgh h GLN 373 CO -0.41 0.72 -0.40 0.00 -2.65 0.00 0.00 178.83 176.09 3cgh h ALA 374 N 0.07 0.52 0.01 3.38 0.00 -0.93 -2.66 119.26 119.65 3cgh h ALA 374 Ca -0.00 -0.46 -0.37 0.00 0.00 0.00 0.00 54.91 54.08 3cgh h ALA 374 Cb 0.76 -0.11 -0.07 0.00 0.00 0.00 0.00 17.79 18.37 3cgh h ALA 374 CO 0.00 0.64 -2.35 0.28 0.00 0.00 0.00 179.25 177.82 3cgh n VAL 375 N -4.08 1.47 0.14 0.00 0.31 0.09 -4.67 118.33 111.60 3cgh n VAL 375 Ca -0.03 -0.73 0.02 0.00 -0.01 0.00 0.00 64.34 63.59 3cgh n VAL 375 Cb 0.55 -0.96 0.01 0.00 -0.91 0.00 0.00 33.84 32.53 3cgh n VAL 375 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 3cgh n PHE 376 N -3.02 0.00 -2.03 3.52 3.72 -1.03 -5.01 117.46 113.61 3cgh n PHE 376 Ca -0.37 0.00 -0.15 0.00 -0.05 0.00 0.00 57.45 56.88 3cgh n PHE 376 Cb 1.08 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.59 3cgh n PHE 376 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 3cgh n ASN 377 N -0.10 -4.70 -4.81 4.37 3.02 -0.58 -4.96 115.26 107.51 3cgh n ASN 377 Ca 0.02 0.11 -0.33 0.00 -0.03 0.00 0.00 54.58 54.34 3cgh n ASN 377 Cb 0.08 -3.75 -0.05 0.00 -0.61 0.00 0.00 39.78 35.45 3cgh n ASN 377 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 3cgh s PHE 378 N -2.71 3.18 0.25 3.10 0.08 -0.24 -4.95 117.98 116.69 3cgh s PHE 378 Ca 0.00 1.57 -0.14 0.00 0.12 0.00 0.00 56.93 58.48 3cgh s PHE 378 Cb 0.00 -2.94 -0.08 0.00 -0.57 0.00 0.00 43.02 39.43 3cgh s PHE 378 CO 0.00 -0.49 0.66 -1.12 -0.10 0.00 0.00 175.22 174.17 3cgh s SER 379 N -2.26 6.80 0.00 1.36 0.01 -1.26 -3.98 113.70 114.37 3cgh s SER 379 Ca 0.64 1.19 0.00 0.00 1.31 0.00 0.00 55.95 59.09 3cgh s SER 379 Cb -0.12 -2.33 0.00 0.00 0.21 0.00 0.00 66.02 63.77 3cgh s SER 379 CO 0.20 -0.08 0.54 0.61 0.41 0.00 0.00 173.24 174.92 3cgh n GLY 381 N 0.08 -1.65 0.00 3.44 0.00 -1.26 -4.77 105.19 101.04 3cgh n GLY 381 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3cgh n GLY 381 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cgh n GLY 382 N 0.00 0.79 3.78 -0.02 0.00 -1.26 -5.14 105.19 103.33 3cgh n GLY 382 Ca 0.00 -0.90 -0.35 0.00 0.00 0.00 0.00 46.02 44.77 3cgh n GLY 382 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3cgh s THR 383 N -2.00 3.21 0.26 2.61 -4.23 -1.26 -4.92 115.64 109.31 3cgh s THR 383 Ca 0.00 0.76 -0.04 0.00 -1.18 0.00 0.00 61.69 61.22 3cgh s THR 383 Cb 0.00 -3.31 0.27 0.00 1.34 0.00 0.00 72.50 70.80 3cgh s THR 383 CO 0.00 -0.16 1.91 0.00 -0.54 0.00 0.00 174.62 175.83 3cgh h ALA 384 N 1.24 1.34 -0.41 3.99 0.00 -1.90 -2.27 119.26 121.25 3cgh h ALA 384 Ca -0.50 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.35 3cgh h ALA 384 Cb 1.26 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 3cgh h ALA 384 CO 0.57 0.58 0.23 1.49 0.00 0.00 0.00 179.25 182.12 3cgh h GLU 385 N 1.28 0.56 -0.78 0.00 4.81 -1.92 -0.38 114.58 118.15 3cgh h GLU 385 Ca 0.39 -0.06 -0.03 0.00 -0.13 0.00 0.00 59.36 59.53 3cgh h GLU 385 Cb -0.03 -0.11 -0.04 0.00 0.63 0.00 0.00 28.75 29.20 3cgh h GLU 385 CO -0.11 0.44 0.38 0.66 -0.73 0.00 0.00 179.01 179.65 3cgh h SER 386 N 0.53 1.01 -0.29 1.04 4.64 -1.82 -1.53 113.55 117.13 3cgh h SER 386 Ca 0.14 -0.11 -0.13 0.00 -0.47 0.00 0.00 61.79 61.22 3cgh h SER 386 Cb 0.03 -0.26 -0.00 0.00 -0.31 0.00 0.00 62.40 61.86 3cgh h SER 386 CO -0.02 0.85 -0.33 -0.26 -0.87 0.00 0.00 176.83 176.19 3cgh h PHE 387 N 1.11 0.90 0.25 4.77 0.04 -1.02 -1.49 116.94 121.50 3cgh h PHE 387 Ca 0.27 -0.28 -0.01 0.00 2.80 0.00 0.00 57.97 60.75 3cgh h PHE 387 Cb 0.10 -0.19 -0.00 0.00 2.20 0.00 0.00 35.95 38.06 3cgh h PHE 387 CO 0.01 1.04 -0.15 -0.92 -0.60 0.00 0.00 178.31 177.70 3cgh h TYR 388 N 0.49 -0.39 -0.81 -0.55 3.20 -0.86 0.13 116.97 118.17 3cgh h TYR 388 Ca 0.04 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.89 3cgh h TYR 388 Cb 0.91 0.14 -0.04 0.00 1.54 0.00 0.00 36.73 39.28 3cgh h TYR 388 CO 0.07 -0.24 0.46 -0.91 -1.64 0.00 0.00 178.16 175.90 3cgh h ASN 389 N -0.39 0.99 -0.18 -2.11 2.35 -1.26 -2.22 115.58 112.77 3cgh h ASN 389 Ca -0.03 -0.07 -0.10 0.00 -0.55 0.00 0.00 56.30 55.55 3cgh h ASN 389 Cb 0.32 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.42 3cgh h ASN 389 CO 0.03 0.79 -0.20 -0.61 -1.65 0.00 0.00 177.43 175.79 3cgh h GLN 390 N 1.13 0.61 -0.43 0.81 5.75 -0.95 -0.61 115.11 121.41 3cgh h GLN 390 Ca 0.29 -0.22 0.02 0.00 -0.15 0.00 0.00 58.65 58.59 3cgh h GLN 390 Cb 0.00 -0.04 -0.03 0.00 1.07 0.00 0.00 27.48 28.48 3cgh h GLN 390 CO -0.05 0.77 0.25 0.78 -2.65 0.00 0.00 178.83 177.93 3cgh h GLY 391 N 0.99 0.60 0.83 2.39 0.00 -0.39 0.14 103.07 107.63 3cgh h GLY 391 Ca 0.08 -0.19 -0.03 0.00 0.00 0.00 0.00 47.33 47.19 3cgh h GLY 391 CO 0.05 0.16 0.00 -2.22 0.00 0.00 0.00 176.54 174.53 3cgh h ILE 392 N 0.50 1.25 -0.52 2.60 2.04 -1.11 -1.12 117.51 121.15 3cgh h ILE 392 Ca 0.17 -0.87 0.04 0.00 1.00 0.00 0.00 64.86 65.20 3cgh h ILE 392 Cb 0.02 1.39 -0.04 0.00 -0.74 0.00 0.00 36.82 37.45 3cgh h ILE 392 CO -0.08 0.27 0.29 0.03 0.00 0.00 0.00 178.15 178.65 3cgh h ARG 393 N 0.16 0.55 -0.68 2.37 3.08 -0.91 -1.04 114.38 117.91 3cgh h ARG 393 Ca 0.06 -0.03 0.05 0.00 0.07 0.00 0.00 59.98 60.13 3cgh h ARG 393 Cb 0.39 -0.12 -0.05 0.00 0.08 0.00 0.00 29.97 30.27 3cgh h ARG 393 CO 0.01 0.36 0.40 -0.07 -1.07 0.00 0.00 179.97 179.60 3cgh h LEU 394 N 0.56 0.63 -0.20 3.04 3.38 -0.61 -0.55 115.31 121.56 3cgh h LEU 394 Ca 0.22 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.17 3cgh h LEU 394 Cb 0.09 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 3cgh h LEU 394 CO -0.13 0.42 -0.01 -1.28 0.09 0.00 0.00 178.44 177.53 3cgh h SER 395 N 0.76 0.36 -0.60 -0.43 0.87 -0.71 0.11 113.55 113.91 3cgh h SER 395 Ca 0.29 -0.32 0.04 0.00 -1.23 0.00 0.00 61.79 60.57 3cgh h SER 395 Cb 0.11 -0.10 -0.05 0.00 -0.44 0.00 0.00 62.40 61.93 3cgh h SER 395 CO -0.15 0.60 0.33 -0.26 -0.53 0.00 0.00 176.83 176.82 3cgh h PHE 396 N 0.12 0.62 -0.67 2.24 -1.00 -1.09 -2.31 116.94 114.85 3cgh h PHE 396 Ca 0.06 0.02 -0.06 0.00 2.81 0.00 0.00 57.97 60.80 3cgh h PHE 396 Cb 0.42 -0.19 -0.03 0.00 3.61 0.00 0.00 35.95 39.76 3cgh h PHE 396 CO 0.04 0.32 0.19 1.49 -1.61 0.00 0.00 178.31 178.73 3cgh h GLU 397 N 0.64 1.05 -0.91 1.51 4.81 -0.87 -0.67 114.58 120.14 3cgh h GLU 397 Ca 0.26 -0.24 0.11 0.00 -0.13 0.00 0.00 59.36 59.36 3cgh h GLU 397 Cb 0.12 -0.15 -0.08 0.00 0.63 0.00 0.00 28.75 29.28 3cgh h GLU 397 CO -0.15 0.92 0.54 0.37 -0.73 0.00 0.00 179.01 179.97 3cgh h GLN 398 N 0.98 0.85 -0.03 1.92 4.15 -0.25 -2.55 115.11 120.18 3cgh h GLN 398 Ca 0.21 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.58 3cgh h GLN 398 Cb 0.33 -0.19 0.00 0.00 0.21 0.00 0.00 27.48 27.82 3cgh h GLN 398 CO -0.00 0.56 -0.04 0.91 -1.93 0.00 0.00 178.83 178.33 3cgh n TRP 399 N -4.70 0.00 -2.15 3.99 7.02 -0.96 -4.97 117.44 115.68 3cgh n TRP 399 Ca 0.16 0.00 -0.09 0.00 -1.02 0.00 0.00 57.50 56.55 3cgh n TRP 399 Cb 0.32 0.00 -0.01 0.00 -2.42 0.00 0.00 31.31 29.21 3cgh n TRP 399 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3cgh n GLY 400 N 1.34 0.02 3.77 6.99 0.00 -0.45 -4.92 105.19 111.94 3cgh n GLY 400 Ca 0.13 -0.50 -0.37 0.00 0.00 0.00 0.00 46.02 45.28 3cgh n GLY 400 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cgh s ALA 401 N -2.46 3.60 0.49 4.61 0.00 -0.39 -5.03 121.76 122.59 3cgh s ALA 401 Ca 0.00 -0.31 -0.06 0.00 0.00 0.00 0.00 51.96 51.60 3cgh s ALA 401 Cb 0.00 -2.45 -0.04 0.00 0.00 0.00 0.00 23.12 20.64 3cgh s ALA 401 CO 0.00 0.22 0.81 -0.51 0.00 0.00 0.00 175.76 176.28 3cgh s ASP 402 N -0.06 6.27 0.00 0.00 1.01 -1.26 -4.57 116.67 118.06 3cgh s ASP 402 Ca 0.22 0.98 0.00 0.00 0.71 0.00 0.00 52.55 54.46 3cgh s ASP 402 Cb -0.15 -2.27 0.00 0.00 1.01 0.00 0.00 42.92 41.51 3cgh s ASP 402 CO 0.09 -0.60 0.00 0.61 0.21 0.00 0.00 175.17 175.48 3cgh n GLY 403 N -2.28 1.01 0.28 0.21 0.00 -1.26 -4.74 105.19 98.41 3cgh n GLY 403 Ca 0.01 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.02 3cgh n GLY 403 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3cgh h VAL 404 N 0.00 1.20 -0.53 1.61 3.04 -1.98 -2.28 116.25 117.31 3cgh h VAL 404 Ca 0.00 -0.77 -0.06 0.00 -1.01 0.00 0.00 66.70 64.86 3cgh h VAL 404 Cb 0.00 0.83 -0.02 0.00 -2.01 0.00 0.00 31.29 30.09 3cgh h VAL 404 CO 0.00 0.27 0.08 -0.33 -1.01 0.00 0.00 177.57 176.59 3cgh h GLU 405 N 0.61 0.84 0.01 4.17 4.39 -1.99 -0.28 114.58 122.33 3cgh h GLU 405 Ca 0.13 -0.19 -0.19 0.00 0.34 0.00 0.00 59.36 59.45 3cgh h GLU 405 Cb 0.30 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 28.82 3cgh h GLU 405 CO 0.00 0.79 -0.89 -0.44 -1.16 0.00 0.00 179.01 177.31 3cgh h ASP 406 N 0.80 0.12 -0.11 1.42 3.32 -1.94 -3.25 116.42 116.78 3cgh h ASP 406 Ca 0.17 -0.10 -0.01 0.00 0.02 0.00 0.00 57.03 57.11 3cgh h ASP 406 Cb 0.36 -0.04 -0.00 0.00 0.22 0.00 0.00 39.33 39.87 3cgh h ASP 406 CO 0.01 0.94 0.03 0.22 -1.72 0.00 0.00 179.24 178.72 3cgh h TYR 407 N 0.04 0.17 0.00 4.55 3.20 -0.79 -2.85 116.97 121.29 3cgh h TYR 407 Ca -0.03 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.82 3cgh h TYR 407 Cb 1.54 -0.05 0.00 0.00 1.54 0.00 0.00 36.73 39.76 3cgh h TYR 407 CO 0.01 0.31 0.00 1.47 -1.64 0.00 0.00 178.16 178.31 3cgh n LEU 408 N -4.89 0.02 -1.12 2.82 -0.00 -0.18 -1.83 117.00 111.82 3cgh n LEU 408 Ca -0.06 0.50 0.11 0.00 -0.00 0.00 0.00 56.01 56.57 3cgh n LEU 408 Cb 0.14 -0.50 0.22 0.00 -0.00 0.00 0.00 43.42 43.27 3cgh n LEU 408 CO 0.34 -0.20 0.69 2.29 -0.00 0.00 0.00 177.39 180.52 3cgh n LYS 409 N -1.53 2.48 -2.10 1.47 0.00 -1.13 -4.01 118.16 113.34 3cgh n LYS 409 Ca 0.04 -2.28 -0.42 0.00 -0.00 0.00 0.00 58.31 55.65 3cgh n LYS 409 Cb 0.22 -1.49 -0.03 0.00 -0.00 0.00 0.00 35.03 33.73 3cgh n LYS 409 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 3cgh s ASP 410 N -1.35 5.87 -0.18 -5.58 -1.08 -0.76 -4.80 116.67 108.78 3cgh s ASP 410 Ca 0.38 0.95 0.17 0.00 -0.52 0.00 0.00 52.55 53.53 3cgh s ASP 410 Cb 0.22 -2.53 0.49 0.00 -1.46 0.00 0.00 42.92 39.64 3cgh s ASP 410 CO 0.30 -1.79 1.38 -0.90 0.52 0.00 0.00 175.17 174.68 3cgh n ASP 411 N 10.46 3.53 -0.01 -0.34 5.75 -1.26 -1.39 116.55 133.29 3cgh n ASP 411 Ca 0.21 -3.08 -0.03 0.00 -0.01 0.00 0.00 54.79 51.88 3cgh n ASP 411 Cb 0.48 -0.53 -0.01 0.00 -1.03 0.00 0.00 41.12 40.03 3cgh n ASP 411 CO 0.00 0.00 0.00 0.52 -0.11 0.00 0.00 177.20 177.61 3cgh n VAL 412 N -0.71 0.14 -2.25 2.12 0.31 -1.26 -4.95 118.33 111.73 3cgh n VAL 412 Ca 0.21 -0.04 -0.41 0.00 -0.01 0.00 0.00 64.34 64.09 3cgh n VAL 412 Cb 0.86 -1.45 -0.03 0.00 -0.91 0.00 0.00 33.84 32.31 3cgh n VAL 412 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 3cgh s ASN 413 N -5.14 6.94 0.20 4.52 0.01 -1.26 -5.01 114.94 115.20 3cgh s ASN 413 Ca -0.04 2.42 0.08 0.00 -0.71 0.00 0.00 52.86 54.61 3cgh s ASN 413 Cb 0.01 -2.62 -0.05 0.00 0.41 0.00 0.00 41.25 39.01 3cgh s ASN 413 CO 0.05 -0.47 -0.16 -0.54 -1.51 0.00 0.00 177.10 174.47 3cgh s LYS 414 N -0.55 1.35 0.60 -0.60 1.02 -1.26 -4.52 119.74 115.78 3cgh s LYS 414 Ca 0.54 -1.57 -0.19 0.00 0.02 0.00 0.00 55.97 54.77 3cgh s LYS 414 Cb -0.36 -1.22 -0.05 0.00 -0.52 0.00 0.00 37.83 35.68 3cgh s LYS 414 CO 0.41 0.22 0.96 -2.30 -0.92 0.00 0.00 175.35 173.72 3cgh n PRO 415 N -0.26 0.91 -2.40 -1.68 -0.02 -1.25 -4.28 135.00 126.02 3cgh n PRO 415 Ca -0.09 0.35 -0.24 0.00 -2.02 0.00 0.00 63.50 61.51 3cgh n PRO 415 Cb 0.60 -2.16 0.07 0.00 -0.02 0.00 0.00 33.50 31.98 3cgh n PRO 415 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3cgh s THR 416 N -1.51 2.36 0.70 3.45 -4.23 -0.75 -4.51 115.64 111.17 3cgh s THR 416 Ca 0.75 -0.44 -0.12 0.00 -1.18 0.00 0.00 61.69 60.70 3cgh s THR 416 Cb -0.42 -2.92 0.16 0.00 1.34 0.00 0.00 72.50 70.66 3cgh s THR 416 CO 0.47 0.00 0.95 0.00 -0.54 0.00 0.00 174.62 175.51 3cgh n ALA 417 N -2.76 -1.09 -3.95 3.99 0.00 -1.26 -2.80 120.51 112.63 3cgh n ALA 417 Ca 0.10 -1.24 -0.31 0.00 0.00 0.00 0.00 53.44 51.98 3cgh n ALA 417 Cb 0.60 -0.06 -0.14 0.00 0.00 0.00 0.00 19.45 19.85 3cgh n ALA 417 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 3cgh s TYR 418 N -3.08 3.40 -0.58 0.00 5.04 -0.77 -4.91 117.35 116.45 3cgh s TYR 418 Ca 0.54 -3.07 -0.23 0.00 -2.44 0.00 0.00 57.07 51.87 3cgh s TYR 418 Cb -0.01 -2.89 0.05 0.00 0.35 0.00 0.00 41.96 39.45 3cgh s TYR 418 CO 0.38 -0.82 0.93 0.99 -1.34 0.00 0.00 175.55 175.68 3cgh s THR 419 N 0.15 4.40 -0.19 4.34 2.01 -1.26 -0.34 115.64 124.75 3cgh s THR 419 Ca 0.15 0.06 -0.29 0.00 0.31 0.00 0.00 61.69 61.91 3cgh s THR 419 Cb -0.23 -4.56 -0.04 0.00 0.01 0.00 0.00 72.50 67.68 3cgh s THR 419 CO -0.03 -1.19 1.70 -0.62 -0.69 0.00 0.00 174.62 173.79 3cgh s ASP 420 N 3.05 6.32 0.63 3.53 2.15 -1.26 -4.88 116.67 126.21 3cgh s ASP 420 Ca 0.27 1.77 0.34 0.00 0.43 0.00 0.00 52.55 55.35 3cgh s ASP 420 Cb -0.14 -2.53 1.88 0.00 -0.30 0.00 0.00 42.92 41.83 3cgh s ASP 420 CO 0.16 -1.28 2.14 -0.65 -0.17 0.00 0.00 175.17 175.37 3cgh h PRO 421 N 11.03 0.00 0.00 4.34 0.10 -1.96 0.20 132.00 145.71 3cgh h PRO 421 Ca -0.36 0.00 0.00 0.00 0.10 0.00 0.00 66.00 65.74 3cgh h PRO 421 Cb 1.17 0.00 0.00 0.00 0.10 0.00 0.00 31.00 32.27 3cgh h PRO 421 CO 0.99 0.00 -0.20 0.00 0.10 0.00 0.00 178.00 178.89 3cgh n ALA 422 N -2.16 2.57 -0.90 -0.75 0.00 -1.26 -4.94 120.51 113.07 3cgh n ALA 422 Ca -0.01 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.31 3cgh n ALA 422 Cb 0.26 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.34 3cgh n ALA 422 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3cgh n GLY 423 N 1.38 0.43 0.14 0.00 0.00 0.71 -4.87 105.19 102.97 3cgh n GLY 423 Ca 0.05 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.87 3cgh n GLY 423 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3cgh n THR 424 N -2.32 1.72 -2.05 2.61 -1.04 -1.26 -4.59 114.28 107.36 3cgh n THR 424 Ca 0.00 -0.64 -0.10 0.00 -2.04 0.00 0.00 64.05 61.27 3cgh n THR 424 Cb 0.11 -1.66 0.08 0.00 -1.82 0.00 0.00 70.33 67.04 3cgh n THR 424 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 3cgh n ASN 425 N -3.43 3.23 -4.77 8.00 3.02 -1.26 -5.06 115.26 114.99 3cgh n ASN 425 Ca -0.34 -3.42 -0.40 0.00 -0.03 0.00 0.00 54.58 50.38 3cgh n ASN 425 Cb 1.04 -0.41 0.01 0.00 -0.61 0.00 0.00 39.78 39.80 3cgh n ASN 425 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3cgh s THR 426 N -3.73 2.22 -0.18 3.41 2.01 -1.26 -4.70 115.64 113.40 3cgh s THR 426 Ca 0.43 0.20 0.01 0.00 0.31 0.00 0.00 61.69 62.64 3cgh s THR 426 Cb 0.38 -3.12 0.03 0.00 0.01 0.00 0.00 72.50 69.80 3cgh s THR 426 CO -0.02 0.03 -0.17 -0.47 -0.69 0.00 0.00 174.62 173.31 3cgh s TYR 427 N -1.19 2.62 -0.74 4.92 5.04 0.53 -4.96 117.35 123.57 3cgh s TYR 427 Ca 0.58 -1.59 0.26 0.00 -2.44 0.00 0.00 57.07 53.88 3cgh s TYR 427 Cb -0.43 -1.80 0.86 0.00 0.35 0.00 0.00 41.96 40.93 3cgh s TYR 427 CO 0.56 -0.77 1.78 1.04 -1.34 0.00 0.00 175.55 176.82 3cgh n GLN 428 N 4.65 0.24 -3.97 4.97 6.02 -1.26 -1.84 117.38 126.18 3cgh n GLN 428 Ca -0.19 0.21 -0.36 0.00 -0.01 0.00 0.00 57.00 56.66 3cgh n GLN 428 Cb 0.49 -1.78 -0.08 0.00 1.02 0.00 0.00 30.24 29.89 3cgh n GLN 428 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 3cgh s ASN 429 N -4.38 6.03 0.37 1.08 0.02 -1.26 -4.86 114.94 111.93 3cgh s ASN 429 Ca 0.10 0.31 -0.27 0.00 -1.02 0.00 0.00 52.86 51.99 3cgh s ASN 429 Cb 0.13 -1.94 -0.12 0.00 0.02 0.00 0.00 41.25 39.34 3cgh s ASN 429 CO 0.58 0.33 1.18 0.00 0.02 0.00 0.00 177.10 179.21 3cgh n ALA 430 N 2.48 0.80 0.15 0.60 0.00 -1.26 -4.30 120.51 118.97 3cgh n ALA 430 Ca -0.19 0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.57 3cgh n ALA 430 Cb 0.54 -2.18 0.23 0.00 0.00 0.00 0.00 19.45 18.04 3cgh n ALA 430 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3cgh h LEU 431 N 2.14 0.00 -7.32 0.00 4.07 -1.75 -3.46 115.31 109.00 3cgh h LEU 431 Ca -0.45 0.00 0.10 0.00 0.08 0.00 0.00 57.88 57.61 3cgh h LEU 431 Cb 1.31 0.00 -0.11 0.00 1.08 0.00 0.00 40.66 42.94 3cgh h LEU 431 CO 0.60 0.54 0.40 -0.55 -1.08 0.00 0.00 178.44 178.35 3cgh s SER 432 N -6.86 -0.34 0.00 -0.43 0.15 -1.26 -4.71 113.70 100.25 3cgh s SER 432 Ca -0.02 -0.19 0.19 0.00 0.70 0.00 0.00 55.95 56.63 3cgh s SER 432 Cb 0.13 0.51 0.31 0.00 -1.71 0.00 0.00 66.02 65.26 3cgh s SER 432 CO 0.75 -0.87 1.25 0.59 1.20 0.00 0.00 173.24 176.16 3cgh n ASN 433 N -0.37 3.04 -4.71 5.45 3.02 -1.26 -3.94 115.26 116.49 3cgh n ASN 433 Ca -0.09 -1.89 -0.42 0.00 -0.03 0.00 0.00 54.58 52.15 3cgh n ASN 433 Cb 0.62 -0.17 -0.03 0.00 -0.61 0.00 0.00 39.78 39.59 3cgh n ASN 433 CO 0.00 0.00 0.00 -0.51 -2.62 0.00 0.00 177.26 174.13 3cgh s ILE 434 N -1.37 2.43 0.32 2.41 1.10 -1.26 -4.88 121.20 119.95 3cgh s ILE 434 Ca 0.30 0.26 0.05 0.00 -0.51 0.00 0.00 60.65 60.75 3cgh s ILE 434 Cb 0.18 -3.17 -0.02 0.00 0.15 0.00 0.00 42.46 39.61 3cgh s ILE 434 CO 0.26 0.02 0.47 0.42 -2.11 0.00 0.00 174.94 173.99 3cgh s THR 435 N 1.43 4.53 -0.04 4.00 -4.23 -1.26 -4.44 115.64 115.63 3cgh s THR 435 Ca 0.73 -0.89 -0.25 0.00 -1.18 0.00 0.00 61.69 60.10 3cgh s THR 435 Cb -0.46 -3.60 -0.22 0.00 1.34 0.00 0.00 72.50 69.57 3cgh s THR 435 CO 0.32 -0.27 1.12 0.40 -0.54 0.00 0.00 174.62 175.65 3cgh h ILE 436 N 0.91 1.50 -2.45 2.99 2.04 -1.77 -3.46 117.51 117.27 3cgh h ILE 436 Ca -0.48 -1.63 -0.55 0.00 1.00 0.00 0.00 64.86 63.20 3cgh h ILE 436 Cb 1.24 2.53 0.06 0.00 -0.74 0.00 0.00 36.82 39.91 3cgh h ILE 436 CO 0.57 0.44 0.93 1.17 0.00 0.00 0.00 178.15 181.25 3cgh n LYS 437 N -4.66 2.48 -1.70 2.37 4.81 -0.49 -4.89 118.16 116.09 3cgh n LYS 437 Ca -0.09 0.90 -0.44 0.00 -0.87 0.00 0.00 58.31 57.81 3cgh n LYS 437 Cb 0.39 -2.71 -0.03 0.00 0.02 0.00 0.00 35.03 32.70 3cgh n LYS 437 CO 0.00 0.00 0.00 1.87 1.17 0.00 0.00 177.40 180.44 3cgh n TRP 438 N 3.96 2.43 -3.95 5.64 -0.00 -1.26 -4.97 117.44 119.29 3cgh n TRP 438 Ca 0.17 0.32 -0.31 0.00 -0.00 0.00 0.00 57.50 57.69 3cgh n TRP 438 Cb 0.32 -2.53 -0.15 0.00 -0.00 0.00 0.00 31.31 28.95 3cgh n TRP 438 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 177.69 178.90 3cgh s ASN 439 N 0.51 4.17 0.05 5.87 2.47 -1.26 -5.00 114.94 121.75 3cgh s ASN 439 Ca 0.69 -1.48 0.24 0.00 0.42 0.00 0.00 52.86 52.73 3cgh s ASN 439 Cb -0.60 -1.30 1.00 0.00 -1.45 0.00 0.00 41.25 38.90 3cgh s ASN 439 CO 0.46 -0.28 1.77 -0.67 -3.72 0.00 0.00 177.10 174.66 3cgh n ASP 440 N 4.56 0.16 -1.02 -4.21 2.03 -1.26 -2.33 116.55 114.48 3cgh n ASP 440 Ca -0.08 0.52 0.12 0.00 0.52 0.00 0.00 54.79 55.87 3cgh n ASP 440 Cb 0.43 -0.56 0.13 0.00 -0.72 0.00 0.00 41.12 40.40 3cgh n ASP 440 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 3cgh n SER 441 N -1.66 3.14 -4.73 1.67 7.64 -1.26 -4.96 113.62 113.46 3cgh n SER 441 Ca 0.06 -1.99 -0.33 0.00 1.01 0.00 0.00 58.87 57.61 3cgh n SER 441 Cb 0.30 -0.08 0.10 0.00 -1.01 0.00 0.00 64.21 63.52 3cgh n SER 441 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3cgh s ALA 442 N -1.83 2.10 0.71 -0.43 0.00 -0.99 -5.01 121.76 116.30 3cgh s ALA 442 Ca 0.31 0.76 -0.14 0.00 0.00 0.00 0.00 51.96 52.90 3cgh s ALA 442 Cb 0.21 -3.44 0.03 0.00 0.00 0.00 0.00 23.12 19.92 3cgh s ALA 442 CO 0.30 -1.89 1.12 0.16 0.00 0.00 0.00 175.76 175.46 3cgh s ASP 443 N -2.26 4.72 0.34 0.00 1.47 -1.26 -4.80 116.67 114.88 3cgh s ASP 443 Ca 0.72 2.03 0.10 0.00 1.18 0.00 0.00 52.55 56.58 3cgh s ASP 443 Cb -0.26 -2.55 0.84 0.00 -0.34 0.00 0.00 42.92 40.60 3cgh s ASP 443 CO 0.47 -1.90 1.81 0.11 0.68 0.00 0.00 175.17 176.35 3cgh h LYS 444 N -0.35 0.65 -0.42 2.11 1.57 -1.95 -0.24 116.57 117.94 3cgh h LYS 444 Ca -0.46 -0.04 -0.07 0.00 -1.87 0.00 0.00 60.65 58.21 3cgh h LYS 444 Cb 1.25 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 33.40 3cgh h LYS 444 CO 0.52 0.43 0.00 1.49 -0.57 0.00 0.00 179.45 181.32 3cgh h GLU 445 N 0.67 0.74 -0.44 3.15 4.57 -1.98 0.14 114.58 121.42 3cgh h GLU 445 Ca 0.53 -0.23 -0.14 0.00 -1.18 0.00 0.00 59.36 58.33 3cgh h GLU 445 Cb 0.95 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 29.46 3cgh h GLU 445 CO -0.29 0.81 -0.29 1.49 -1.18 0.00 0.00 179.01 179.56 3cgh h GLU 446 N 0.57 0.96 -0.41 1.92 4.81 -1.67 -0.96 114.58 119.80 3cgh h GLU 446 Ca 0.12 -0.45 0.00 0.00 -0.13 0.00 0.00 59.36 58.90 3cgh h GLU 446 Cb 0.48 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.83 3cgh h GLU 446 CO 0.02 1.11 0.27 0.87 -0.73 0.00 0.00 179.01 180.55 3cgh h LYS 447 N 0.81 0.55 -0.56 1.92 1.57 -0.77 -1.48 116.57 118.61 3cgh h LYS 447 Ca 0.09 -0.04 0.01 0.00 -1.87 0.00 0.00 60.65 58.84 3cgh h LYS 447 Cb 0.87 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 33.03 3cgh h LYS 447 CO 0.08 0.38 0.37 0.37 -0.57 0.00 0.00 179.45 180.07 3cgh h GLN 448 N 0.55 0.73 -0.23 3.15 4.15 -0.57 -1.80 115.11 121.10 3cgh h GLN 448 Ca 0.15 -0.04 0.01 0.00 0.77 0.00 0.00 58.65 59.53 3cgh h GLN 448 Cb -0.04 -0.16 -0.01 0.00 0.21 0.00 0.00 27.48 27.47 3cgh h GLN 448 CO -0.03 0.48 0.14 1.49 -1.93 0.00 0.00 178.83 178.98 3cgh h GLU 449 N 0.75 0.28 -0.45 1.69 4.81 -0.89 -0.24 114.58 120.53 3cgh h GLU 449 Ca 0.20 -0.02 0.03 0.00 -0.13 0.00 0.00 59.36 59.45 3cgh h GLU 449 Cb -0.08 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.20 3cgh h GLU 449 CO -0.05 0.19 0.23 -0.09 -0.73 0.00 0.00 179.01 178.56 3cgh h ARG 450 N 0.29 0.45 -0.18 1.92 2.43 -1.15 -0.05 114.38 118.09 3cgh h ARG 450 Ca 0.08 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.23 3cgh h ARG 450 Cb -0.02 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.42 3cgh h ARG 450 CO -0.03 0.30 0.11 0.82 -1.51 0.00 0.00 179.97 179.65 3cgh h ILE 451 N 0.46 1.08 -0.22 1.20 2.04 -1.08 -2.56 117.51 118.43 3cgh h ILE 451 Ca 0.19 -0.21 -0.15 0.00 1.00 0.00 0.00 64.86 65.68 3cgh h ILE 451 Cb 0.08 0.90 -0.01 0.00 -0.74 0.00 0.00 36.82 37.06 3cgh h ILE 451 CO -0.12 0.08 -0.49 0.40 0.00 0.00 0.00 178.15 178.01 3cgh h ILE 452 N 0.20 1.31 -0.36 -0.67 1.08 -0.80 0.58 117.51 118.85 3cgh h ILE 452 Ca 0.06 -1.71 0.03 0.00 -0.39 0.00 0.00 64.86 62.85 3cgh h ILE 452 Cb 0.04 1.66 -0.03 0.00 -3.07 0.00 0.00 36.82 35.42 3cgh h ILE 452 CO -0.01 0.54 0.18 0.58 -0.69 0.00 0.00 178.15 178.75 3cgh h VAL 453 N 0.48 0.98 -0.08 1.67 2.07 -0.93 0.39 116.25 120.84 3cgh h VAL 453 Ca 0.02 -0.13 -0.19 0.00 0.82 0.00 0.00 66.70 67.23 3cgh h VAL 453 Cb 1.03 0.58 -0.00 0.00 -1.52 0.00 0.00 31.29 31.38 3cgh h VAL 453 CO 0.10 0.07 -0.74 1.56 0.02 0.00 0.00 177.57 178.58 3cgh h GLN 454 N 0.37 0.43 -0.62 1.57 1.08 -1.20 -1.13 115.11 115.61 3cgh h GLN 454 Ca 0.15 -0.35 -0.01 0.00 -1.45 0.00 0.00 58.65 56.99 3cgh h GLN 454 Cb 0.06 0.07 -0.03 0.00 -0.05 0.00 0.00 27.48 27.53 3cgh h GLN 454 CO -0.10 0.99 0.34 -0.22 -0.95 0.00 0.00 178.83 178.89 3cgh h LYS 455 N 0.29 0.87 -0.19 1.46 3.64 -0.65 -1.03 116.57 120.96 3cgh h LYS 455 Ca -0.03 -0.10 -0.01 0.00 -1.27 0.00 0.00 60.65 59.24 3cgh h LYS 455 Cb 1.32 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.96 3cgh h LYS 455 CO 0.13 0.65 0.09 2.35 -2.27 0.00 0.00 179.45 180.40 3cgh h TRP 456 N 0.85 0.27 -0.50 1.91 7.01 -0.03 -0.82 115.95 124.64 3cgh h TRP 456 Ca 0.22 -0.01 0.04 0.00 2.11 0.00 0.00 58.89 61.25 3cgh h TRP 456 Cb 0.04 -0.08 -0.04 0.00 -2.10 0.00 0.00 29.16 26.97 3cgh h TRP 456 CO -0.01 0.29 0.26 0.82 -2.79 0.00 0.00 178.44 177.01 3cgh h ILE 457 N 0.18 0.97 0.00 2.65 2.04 -1.04 -2.32 117.51 119.98 3cgh h ILE 457 Ca 0.06 -0.18 -0.02 0.00 1.00 0.00 0.00 64.86 65.72 3cgh h ILE 457 Cb 0.12 0.42 -0.00 0.00 -0.74 0.00 0.00 36.82 36.61 3cgh h ILE 457 CO -0.01 0.09 -0.12 0.00 0.00 0.00 0.00 178.15 178.12 3cgh h ALA 458 N 1.26 1.16 -0.55 1.87 0.00 -0.86 -2.52 119.26 119.62 3cgh h ALA 458 Ca 0.22 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3cgh h ALA 458 Cb 0.11 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3cgh h ALA 458 CO -0.14 0.15 0.00 0.09 0.00 0.00 0.00 179.25 179.34 3cgh n ASN 459 N -3.46 3.68 -3.13 0.00 4.13 -0.34 -4.97 115.26 111.17 3cgh n ASN 459 Ca -0.01 -2.23 -0.42 0.00 1.68 0.00 0.00 54.58 53.59 3cgh n ASN 459 Cb 0.28 -0.48 -0.06 0.00 -1.54 0.00 0.00 39.78 37.98 3cgh n ASN 459 CO 0.00 0.00 0.00 1.87 0.28 0.00 0.00 177.26 179.41 3cgh n TRP 460 N 1.01 0.69 0.00 3.10 -0.00 -0.95 -0.26 117.44 121.03 3cgh n TRP 460 Ca 0.21 0.75 0.00 0.00 -0.00 0.00 0.00 57.50 58.45 3cgh n TRP 460 Cb 0.66 -1.46 0.00 0.00 -0.00 0.00 0.00 31.31 30.51 3cgh n TRP 460 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 177.69 178.73 3cgh n GLN 461 N 1.60 0.00 -2.25 5.87 6.02 -1.26 -4.95 117.38 122.40 3cgh n GLN 461 Ca 0.16 0.00 -0.41 0.00 -0.01 0.00 0.00 57.00 56.74 3cgh n GLN 461 Cb 0.02 -0.44 0.00 0.00 1.02 0.00 0.00 30.24 30.85 3cgh n GLN 461 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 3cgh n LEU 462 N 0.00 7.34 -0.28 1.08 4.77 0.64 -4.78 117.00 125.76 3cgh n LEU 462 Ca 0.00 -4.86 0.03 0.00 -0.03 0.00 0.00 56.01 51.15 3cgh n LEU 462 Cb 0.00 -1.39 0.17 0.00 -2.33 0.00 0.00 43.42 39.87 3cgh n LEU 462 CO 0.00 1.77 1.11 1.23 -1.33 0.00 0.00 177.39 180.17 3cgh h GLY 463 N 6.35 1.22 1.33 -0.72 0.00 -1.80 -1.58 103.07 107.88 3cgh h GLY 463 Ca 0.53 -0.28 -0.03 0.00 0.00 0.00 0.00 47.33 47.56 3cgh h GLY 463 CO 1.51 0.09 0.26 3.43 0.00 0.00 0.00 176.54 181.82 3cgh h ASN 464 N 0.71 0.78 -0.20 0.19 2.35 -1.87 0.18 115.58 117.72 3cgh h ASN 464 Ca 0.39 -0.09 -0.10 0.00 -0.55 0.00 0.00 56.30 55.94 3cgh h ASN 464 Cb 0.40 -0.20 -0.00 0.00 0.05 0.00 0.00 38.32 38.57 3cgh h ASN 464 CO -0.27 0.69 -0.28 -0.08 -1.65 0.00 0.00 177.43 175.83 3cgh h GLU 465 N 0.85 0.55 -0.91 0.81 4.57 -1.69 -1.61 114.58 117.15 3cgh h GLU 465 Ca 0.21 -0.32 0.05 0.00 -1.18 0.00 0.00 59.36 58.12 3cgh h GLU 465 Cb 0.14 0.03 -0.06 0.00 -0.16 0.00 0.00 28.75 28.69 3cgh h GLU 465 CO -0.02 0.92 0.58 0.00 -1.18 0.00 0.00 179.01 179.31 3cgh h ALA 466 N 0.62 1.23 -0.50 2.92 0.00 -1.07 -1.04 119.26 121.41 3cgh h ALA 466 Ca 0.02 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 3cgh h ALA 466 Cb 0.86 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 3cgh h ALA 466 CO 0.07 0.39 0.16 2.35 0.00 0.00 0.00 179.25 182.21 3cgh h TRP 467 N 1.09 0.80 0.10 0.00 7.01 -0.82 0.06 115.95 124.19 3cgh h TRP 467 Ca 0.38 -0.08 -0.00 0.00 2.11 0.00 0.00 58.89 61.30 3cgh h TRP 467 Cb 0.09 -0.23 -0.00 0.00 -2.10 0.00 0.00 29.16 26.92 3cgh h TRP 467 CO -0.02 0.70 -0.06 0.00 -2.79 0.00 0.00 178.44 176.26 3cgh h ALA 468 N 1.01 -0.15 -0.99 2.65 0.00 -0.88 -1.34 119.26 119.57 3cgh h ALA 468 Ca 0.16 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.05 3cgh h ALA 468 Cb 0.27 0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.09 3cgh h ALA 468 CO -0.01 -0.59 0.65 -0.44 0.00 0.00 0.00 179.25 178.87 3cgh h ASP 469 N -0.16 1.13 -0.43 0.00 3.32 -1.05 -0.86 116.42 118.37 3cgh h ASP 469 Ca -0.01 -0.03 -0.02 0.00 0.02 0.00 0.00 57.03 56.99 3cgh h ASP 469 Cb 0.13 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.39 3cgh h ASP 469 CO 0.01 0.81 0.18 0.15 -1.72 0.00 0.00 179.24 178.67 3cgh h PHE 470 N 1.33 0.65 -0.55 4.55 3.57 -0.82 -0.08 116.94 125.58 3cgh h PHE 470 Ca 0.36 -0.05 -0.04 0.00 3.53 0.00 0.00 57.97 61.78 3cgh h PHE 470 Cb -0.14 -0.19 -0.03 0.00 2.79 0.00 0.00 35.95 38.38 3cgh h PHE 470 CO -0.00 0.56 0.19 0.00 -2.23 0.00 0.00 178.31 176.83 3cgh h ARG 471 N 0.55 0.82 0.01 1.11 3.08 -0.91 0.90 114.38 119.92 3cgh h ARG 471 Ca 0.14 -0.14 -0.17 0.00 0.07 0.00 0.00 59.98 59.88 3cgh h ARG 471 Cb 0.18 -0.14 0.01 0.00 0.08 0.00 0.00 29.97 30.10 3cgh h ARG 471 CO -0.01 0.69 -0.68 -0.09 -1.07 0.00 0.00 179.97 178.81 3cgh h ARG 472 N 0.80 0.45 0.00 0.04 2.43 -0.90 -3.40 114.38 113.81 3cgh h ARG 472 Ca 0.19 -0.49 -0.17 0.00 -0.81 0.00 0.00 59.98 58.69 3cgh h ARG 472 Cb 0.20 0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 29.86 3cgh h ARG 472 CO -0.01 1.15 -1.90 0.25 -1.51 0.00 0.00 179.97 177.94 3cgh n THR 473 N -4.16 0.63 -0.87 0.20 -2.24 -0.07 -4.43 114.28 103.35 3cgh n THR 473 Ca -0.11 -0.53 0.00 0.00 -2.27 0.00 0.00 64.05 61.15 3cgh n THR 473 Cb 0.71 -0.33 0.00 0.00 -2.10 0.00 0.00 70.33 68.61 3cgh n THR 473 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3cgh n GLY 474 N 1.91 0.60 3.44 3.38 0.00 0.30 -5.05 105.19 109.78 3cgh n GLY 474 Ca -0.16 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.59 3cgh n GLY 474 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3cgh s TYR 475 N -2.17 2.33 0.73 1.61 2.02 -1.26 -4.09 117.35 116.53 3cgh s TYR 475 Ca 0.00 -0.35 -0.12 0.00 -0.37 0.00 0.00 57.07 56.23 3cgh s TYR 475 Cb 0.00 -1.15 0.03 0.00 -0.40 0.00 0.00 41.96 40.45 3cgh s TYR 475 CO 0.00 0.51 1.09 -1.25 -1.57 0.00 0.00 175.55 174.34 3cgh s PRO 476 N -2.73 2.48 -0.02 -1.71 0.04 -1.26 -3.43 135.00 128.37 3cgh s PRO 476 Ca 0.22 1.22 -0.30 0.00 0.04 0.00 0.00 61.00 62.18 3cgh s PRO 476 Cb -0.08 -1.92 -0.06 0.00 0.04 0.00 0.00 34.50 32.48 3cgh s PRO 476 CO 0.10 -1.48 1.64 0.15 0.04 0.00 0.00 177.00 177.45 3cgh s LYS 477 N -4.65 4.19 0.55 4.56 -0.14 -1.26 -5.00 119.74 117.99 3cgh s LYS 477 Ca 0.63 2.21 0.07 0.00 -1.36 0.00 0.00 55.97 57.52 3cgh s LYS 477 Cb -0.18 -3.86 0.05 0.00 -1.68 0.00 0.00 37.83 32.17 3cgh s LYS 477 CO 0.51 -0.79 0.57 -0.51 -0.76 0.00 0.00 175.35 174.37 3cgh s LEU 478 N 3.55 2.93 -0.10 3.17 1.43 -1.26 -4.72 118.68 123.68 3cgh s LEU 478 Ca 0.73 -1.04 -0.25 0.00 -1.03 0.00 0.00 54.13 52.55 3cgh s LEU 478 Cb -0.35 -1.45 -0.03 0.00 0.03 0.00 0.00 46.19 44.39 3cgh s LEU 478 CO 0.30 -1.17 0.78 -0.63 0.23 0.00 0.00 176.35 175.86 3cgh s ILE 479 N -2.70 4.96 0.62 -0.59 1.01 -1.26 -5.01 121.20 118.24 3cgh s ILE 479 Ca 0.47 1.58 -0.19 0.00 0.00 0.00 0.00 60.65 62.51 3cgh s ILE 479 Cb -0.04 -4.11 -0.02 0.00 0.01 0.00 0.00 42.46 38.31 3cgh s ILE 479 CO 0.29 0.15 1.30 -2.16 0.00 0.00 0.00 174.94 174.53 3cgh s PRO 480 N 1.35 2.69 0.31 2.79 0.04 -1.26 -4.93 135.00 135.99 3cgh s PRO 480 Ca 0.39 2.09 -0.30 0.00 0.04 0.00 0.00 61.00 63.23 3cgh s PRO 480 Cb -0.18 -1.93 -0.11 0.00 0.04 0.00 0.00 34.50 32.32 3cgh s PRO 480 CO 0.17 -1.50 1.57 0.08 0.04 0.00 0.00 177.00 177.37 3cgh s VAL 481 N -1.38 2.06 -0.25 -0.36 1.01 -0.61 -4.94 120.40 115.93 3cgh s VAL 481 Ca 0.80 0.05 -0.17 0.00 0.00 0.00 0.00 61.98 62.66 3cgh s VAL 481 Cb -0.38 -3.03 -0.15 0.00 0.00 0.00 0.00 36.38 32.82 3cgh s VAL 481 CO 0.41 0.01 -0.12 1.17 0.00 0.00 0.00 175.10 176.57 3cgh n LYS 482 N 1.83 0.58 -3.19 2.72 4.81 -0.36 -4.73 118.16 119.82 3cgh n LYS 482 Ca 0.07 0.40 -0.45 0.00 -0.87 0.00 0.00 58.31 57.45 3cgh n LYS 482 Cb 0.38 -1.60 -0.01 0.00 0.02 0.00 0.00 35.03 33.82 3cgh n LYS 482 CO 0.00 0.00 0.00 -2.00 1.17 0.00 0.00 177.40 176.57 3cgh s GLU 483 N -2.45 4.02 -0.47 1.64 2.56 0.25 -4.99 118.70 119.25 3cgh s GLU 483 Ca -0.34 -2.78 -0.19 0.00 0.00 0.00 0.00 54.97 51.66 3cgh s GLU 483 Cb 0.11 -4.72 0.04 0.00 2.00 0.00 0.00 34.13 31.57 3cgh s GLU 483 CO 0.53 -1.45 0.59 1.21 -0.56 0.00 0.00 175.26 175.58 3cgh s ASN 484 N 2.11 6.24 -0.16 -1.70 3.84 -1.26 -4.49 114.94 119.51 3cgh s ASN 484 Ca 0.32 -0.74 0.12 0.00 0.21 0.00 0.00 52.86 52.77 3cgh s ASN 484 Cb -0.07 -2.28 0.63 0.00 -0.55 0.00 0.00 41.25 38.98 3cgh s ASN 484 CO -0.06 -0.80 1.49 0.29 -2.79 0.00 0.00 177.10 175.22 3cgh n LYS 485 N 6.07 3.84 0.00 0.43 5.02 0.53 -4.51 118.16 129.55 3cgh n LYS 485 Ca -0.06 -2.45 0.15 0.00 -2.02 0.00 0.00 58.31 53.93 3cgh n LYS 485 Cb 0.46 -2.01 0.71 0.00 -0.02 0.00 0.00 35.03 34.17 3cgh n LYS 485 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 3cgh n SER 486 N 0.61 0.68 -2.00 4.39 3.41 -1.24 -4.36 113.62 115.12 3cgh n SER 486 Ca 0.22 -1.09 -0.18 0.00 -0.26 0.00 0.00 58.87 57.55 3cgh n SER 486 Cb 0.93 -0.01 -0.01 0.00 -0.26 0.00 0.00 64.21 64.85 3cgh n SER 486 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3cgh n GLY 487 N 1.13 -0.23 1.39 5.00 0.00 -1.26 -2.53 105.19 108.70 3cgh n GLY 487 Ca 0.20 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.08 3cgh n GLY 487 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cgh n GLY 488 N -1.00 0.81 0.20 -0.02 0.00 -1.26 -4.95 105.19 98.97 3cgh n GLY 488 Ca -0.21 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.63 3cgh n GLY 488 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3cgh h VAL 489 N 0.00 1.31 -3.11 1.61 2.07 -1.91 -3.44 116.25 112.77 3cgh h VAL 489 Ca 0.00 -2.02 -0.65 0.00 0.82 0.00 0.00 66.70 64.85 3cgh h VAL 489 Cb 0.00 2.18 -0.13 0.00 -1.52 0.00 0.00 31.29 31.82 3cgh h VAL 489 CO 0.00 0.63 -0.55 -0.69 0.02 0.00 0.00 177.57 176.97 3cgh s VAL 490 N -3.57 4.87 0.15 2.57 1.01 -1.26 -4.62 120.40 119.54 3cgh s VAL 490 Ca -0.11 -0.02 -0.30 0.00 0.00 0.00 0.00 61.98 61.55 3cgh s VAL 490 Cb 0.07 -3.14 -0.07 0.00 0.00 0.00 0.00 36.38 33.25 3cgh s VAL 490 CO 0.89 0.55 1.01 -0.62 0.00 0.00 0.00 175.10 176.93 3cgh s ASP 491 N -0.39 7.42 0.50 3.32 -1.08 -1.26 -4.93 116.67 120.25 3cgh s ASP 491 Ca 0.09 1.92 0.27 0.00 -0.52 0.00 0.00 52.55 54.32 3cgh s ASP 491 Cb -0.12 -2.60 1.25 0.00 -1.46 0.00 0.00 42.92 39.99 3cgh s ASP 491 CO 0.02 -0.11 1.97 0.28 0.52 0.00 0.00 175.17 177.84 3cgh h SER 492 N 5.30 0.00 0.00 -0.34 0.02 -1.93 0.17 113.55 116.76 3cgh h SER 492 Ca -0.44 0.00 -0.32 0.00 -0.84 0.00 0.00 61.79 60.19 3cgh h SER 492 Cb 1.21 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.70 3cgh h SER 492 CO 0.72 0.15 -1.77 1.21 -1.14 0.00 0.00 176.83 176.00 3cgh n GLU 493 N -3.44 0.58 0.20 3.45 2.13 -1.26 -1.57 120.64 120.72 3cgh n GLU 493 Ca -0.01 0.45 0.04 0.00 0.66 0.00 0.00 57.16 58.30 3cgh n GLU 493 Cb 0.32 -1.65 0.42 0.00 0.27 0.00 0.00 31.44 30.80 3cgh n GLU 493 CO 0.00 0.00 0.00 0.87 -0.41 0.00 0.00 177.13 177.59 3cgh h LYS 494 N -0.98 0.00 0.00 5.31 1.57 -1.97 -3.48 116.57 117.02 3cgh h LYS 494 Ca -0.49 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.29 3cgh h LYS 494 Cb 1.44 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.75 3cgh h LYS 494 CO -0.29 0.30 0.00 0.41 -0.57 0.00 0.00 179.45 179.30 3cgh n GLY 495 N -0.66 -0.79 3.68 3.86 0.00 0.58 -4.74 105.19 107.13 3cgh n GLY 495 Ca -0.02 -1.09 -0.42 0.00 0.00 0.00 0.00 46.02 44.48 3cgh n GLY 495 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cgh s ALA 496 N -1.64 3.63 -0.40 4.61 0.00 -1.26 -4.54 121.76 122.15 3cgh s ALA 496 Ca 0.00 1.00 0.23 0.00 0.00 0.00 0.00 51.96 53.19 3cgh s ALA 496 Cb 0.00 -3.66 -0.01 0.00 0.00 0.00 0.00 23.12 19.45 3cgh s ALA 496 CO 0.00 -1.07 0.96 0.54 0.00 0.00 0.00 175.76 176.20 3cgh n ARG 497 N 5.76 0.45 0.00 0.00 5.12 -1.26 -5.01 116.66 121.71 3cgh n ARG 497 Ca 0.15 0.01 0.00 0.00 -1.93 0.00 0.00 57.85 56.08 3cgh n ARG 497 Cb 0.42 -1.66 0.00 0.00 -1.16 0.00 0.00 32.46 30.06 3cgh n ARG 497 CO 0.00 0.00 0.00 2.89 -1.93 0.00 0.00 177.63 178.59 3cgh n ARG 498 N -2.24 0.00 -4.20 5.56 1.85 -1.26 -4.30 116.66 112.07 3cgh n ARG 498 Ca 0.00 0.00 -0.24 0.00 -1.00 0.00 0.00 57.85 56.62 3cgh n ARG 498 Cb 0.49 0.00 -0.06 0.00 -1.05 0.00 0.00 32.46 31.84 3cgh n ARG 498 CO 0.00 0.00 0.00 -1.25 -0.01 0.00 0.00 177.63 176.37 3cgh s PRO 500 N 3.66 2.59 0.41 2.89 0.04 -1.26 -4.76 135.00 138.57 3cgh s PRO 500 Ca 0.00 -1.18 -0.26 0.00 0.04 0.00 0.00 61.00 59.60 3cgh s PRO 500 Cb 0.00 -2.38 -0.09 0.00 0.04 0.00 0.00 34.50 32.07 3cgh s PRO 500 CO 0.00 0.41 1.31 0.71 0.04 0.00 0.00 177.00 179.47 3cgh s TYR 501 N -2.09 2.78 0.32 0.56 2.02 -1.26 -4.83 117.35 114.84 3cgh s TYR 501 Ca 0.31 1.40 -0.29 0.00 -0.37 0.00 0.00 57.07 58.12 3cgh s TYR 501 Cb -0.08 -3.68 -0.12 0.00 -0.40 0.00 0.00 41.96 37.68 3cgh s TYR 501 CO 0.22 -2.16 1.39 -2.30 -1.57 0.00 0.00 175.55 171.13 3cgh n PRO 502 N 0.06 2.28 -0.05 -1.71 -0.02 -1.26 -4.87 135.00 129.43 3cgh n PRO 502 Ca 0.04 0.80 0.11 0.00 -2.02 0.00 0.00 63.50 62.44 3cgh n PRO 502 Cb 0.44 -2.46 0.51 0.00 -0.02 0.00 0.00 33.50 31.97 3cgh n PRO 502 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3cgh h LEU 503 N 3.33 0.34 -1.76 2.45 3.38 -1.92 -1.13 115.31 120.01 3cgh h LEU 503 Ca -0.47 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.48 3cgh h LEU 503 Cb 1.27 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.94 3cgh h LEU 503 CO 0.68 0.21 -0.16 -0.78 0.09 0.00 0.00 178.44 178.49 3cgh h ASP 504 N 0.38 0.00 -0.69 -0.43 3.58 -2.00 -2.14 116.42 115.11 3cgh h ASP 504 Ca 0.24 0.00 0.16 0.00 0.42 0.00 0.00 57.03 57.85 3cgh h ASP 504 Cb 0.46 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.47 3cgh h ASP 504 CO -0.06 0.16 0.48 -0.33 -2.88 0.00 0.00 179.24 176.60 3cgh h GLU 505 N 0.00 0.24 0.00 0.28 4.39 -1.56 0.28 114.58 118.21 3cgh h GLU 505 Ca -0.00 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.68 3cgh h GLU 505 Cb 0.40 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.00 3cgh h GLU 505 CO 0.02 0.16 -0.08 1.19 -1.16 0.00 0.00 179.01 179.14 3cgh n PHE 506 N -4.43 0.21 -0.12 4.33 3.72 -0.81 -0.78 117.46 119.57 3cgh n PHE 506 Ca 0.13 0.06 -0.27 0.00 -0.05 0.00 0.00 57.45 57.33 3cgh n PHE 506 Cb 0.59 -0.56 -0.11 0.00 -0.94 0.00 0.00 39.48 38.46 3cgh n PHE 506 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 3cgh n VAL 507 N -1.68 1.54 0.77 -4.37 0.31 -0.40 -4.32 118.33 110.19 3cgh n VAL 507 Ca 0.06 -0.31 0.09 0.00 -0.01 0.00 0.00 64.34 64.17 3cgh n VAL 507 Cb 0.36 -1.88 -0.11 0.00 -0.91 0.00 0.00 33.84 31.30 3cgh n VAL 507 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 3cgh n SER 508 N -4.20 0.85 -2.70 4.52 3.41 -0.05 -4.63 113.62 110.82 3cgh n SER 508 Ca -0.47 -0.83 -0.01 0.00 -0.26 0.00 0.00 58.87 57.29 3cgh n SER 508 Cb 0.85 1.09 0.09 0.00 -0.26 0.00 0.00 64.21 65.98 3cgh n SER 508 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3cgh n ASN 509 N -1.51 0.03 0.11 4.04 5.15 0.03 -4.87 115.26 118.24 3cgh n ASN 509 Ca 0.03 -2.12 -0.13 0.00 -0.60 0.00 0.00 54.58 51.76 3cgh n ASN 509 Cb 0.31 0.11 -0.06 0.00 -0.53 0.00 0.00 39.78 39.61 3cgh n ASN 509 CO 0.00 0.00 0.00 0.50 1.40 0.00 0.00 177.26 179.16 3cgh h LYS 510 N 1.75 -0.32 -0.72 1.20 3.64 -1.59 -1.54 116.57 118.99 3cgh h LYS 510 Ca -0.30 0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.09 3cgh h LYS 510 Cb 1.30 0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 33.16 3cgh h LYS 510 CO -0.01 -0.21 0.41 0.00 -2.27 0.00 0.00 179.45 177.37 3cgh h ALA 511 N 0.50 1.37 -0.04 5.00 0.00 -1.92 -0.77 119.26 123.40 3cgh h ALA 511 Ca 0.01 -0.10 -0.16 0.00 0.00 0.00 0.00 54.91 54.66 3cgh h ALA 511 Cb 0.33 -0.29 0.01 0.00 0.00 0.00 0.00 17.79 17.84 3cgh h ALA 511 CO -0.06 0.53 -0.62 -0.91 0.00 0.00 0.00 179.25 178.18 3cgh h ASN 512 N 0.99 0.61 -0.47 0.00 2.35 -1.77 -1.63 115.58 115.66 3cgh h ASN 512 Ca 0.26 -0.72 -0.12 0.00 -0.55 0.00 0.00 56.30 55.17 3cgh h ASN 512 Cb -0.01 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.16 3cgh h ASN 512 CO -0.04 1.24 -0.15 1.62 -1.65 0.00 0.00 177.43 178.45 3cgh h VAL 513 N 0.03 1.27 -0.66 2.81 3.04 -1.18 -2.08 116.25 119.47 3cgh h VAL 513 Ca -0.07 -1.29 -0.06 0.00 -1.01 0.00 0.00 66.70 64.27 3cgh h VAL 513 Cb 1.30 1.04 -0.03 0.00 -2.01 0.00 0.00 31.29 31.59 3cgh h VAL 513 CO 0.12 0.45 0.18 -0.33 -1.01 0.00 0.00 177.57 176.98 3cgh h GLU 514 N 0.84 1.03 -0.81 4.17 5.08 -1.14 -0.36 114.58 123.39 3cgh h GLU 514 Ca 0.13 -0.22 -0.02 0.00 -1.00 0.00 0.00 59.36 58.24 3cgh h GLU 514 Cb 0.70 -0.15 -0.04 0.00 0.50 0.00 0.00 28.75 29.76 3cgh h GLU 514 CO 0.05 0.90 0.42 -0.92 -1.00 0.00 0.00 179.01 178.47 3cgh h TYR 515 N 0.99 1.14 -0.48 4.33 3.20 -1.13 -1.12 116.97 123.90 3cgh h TYR 515 Ca 0.21 -0.04 -0.09 0.00 3.14 0.00 0.00 58.73 61.95 3cgh h TYR 515 Cb 0.32 -0.36 -0.02 0.00 1.54 0.00 0.00 36.73 38.21 3cgh h TYR 515 CO 0.02 0.81 -0.07 0.00 -1.64 0.00 0.00 178.16 177.28 3cgh h ALA 516 N 1.22 0.65 -0.46 1.82 0.00 -0.78 -0.83 119.26 120.89 3cgh h ALA 516 Ca 0.28 -0.32 0.01 0.00 0.00 0.00 0.00 54.91 54.89 3cgh h ALA 516 Cb 0.06 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 3cgh h ALA 516 CO -0.04 0.51 0.29 0.82 0.00 0.00 0.00 179.25 180.83 3cgh h ILE 517 N 0.74 1.08 0.00 0.00 2.04 -0.81 0.14 117.51 120.69 3cgh h ILE 517 Ca 0.13 -0.20 -0.11 0.00 1.00 0.00 0.00 64.86 65.68 3cgh h ILE 517 Cb 0.60 0.45 -0.02 0.00 -0.74 0.00 0.00 36.82 37.12 3cgh h ILE 517 CO 0.04 0.11 -0.52 0.00 0.00 0.00 0.00 178.15 177.77 3cgh h ALA 518 N 1.19 1.12 0.00 1.87 0.00 -0.97 -3.36 119.26 119.11 3cgh h ALA 518 Ca 0.18 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.61 3cgh h ALA 518 Cb -0.02 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.68 3cgh h ALA 518 CO -0.06 0.65 -0.83 0.09 0.00 0.00 0.00 179.25 179.10 3cgh n ASN 519 N -3.89 4.16 -0.03 0.00 3.02 -0.34 -4.85 115.26 113.33 3cgh n ASN 519 Ca -0.01 0.00 -0.03 0.00 -0.03 0.00 0.00 54.58 54.51 3cgh n ASN 519 Cb 0.54 0.44 -0.05 0.00 -0.61 0.00 0.00 39.78 40.10 3cgh n ASN 519 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 3cgh n TYR 520 N -1.71 0.00 0.08 3.10 4.01 0.28 -4.74 117.16 118.18 3cgh n TYR 520 Ca 0.00 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.64 3cgh n TYR 520 Cb 0.39 -0.33 -0.03 0.00 -0.31 0.00 0.00 39.34 39.06 3cgh n TYR 520 CO 0.00 0.00 0.00 1.25 -0.46 0.00 0.00 176.86 177.65 3cgh h LEU 521 N 0.00 0.32 -0.13 7.72 5.85 -1.13 -3.45 115.31 124.49 3cgh h LEU 521 Ca -0.18 -0.27 -0.38 0.00 0.84 0.00 0.00 57.88 57.89 3cgh h LEU 521 Cb 1.38 -0.10 0.10 0.00 0.37 0.00 0.00 40.66 42.41 3cgh h LEU 521 CO 0.01 1.09 -0.62 1.41 -0.34 0.00 0.00 178.44 179.99 3cgh n HIS 522 N -3.65 -2.40 0.00 1.25 8.25 -1.26 -4.87 115.22 112.54 3cgh n HIS 522 Ca -0.05 0.78 0.00 0.00 -0.26 0.00 0.00 57.72 58.19 3cgh n HIS 522 Cb 0.84 -4.65 0.00 0.00 1.12 0.00 0.00 29.99 27.30 3cgh n HIS 522 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3cgh n GLY 523 N -1.76 1.55 3.73 -1.41 0.00 -1.26 -4.94 105.19 101.09 3cgh n GLY 523 Ca -0.04 -0.91 -0.35 0.00 0.00 0.00 0.00 46.02 44.72 3cgh n GLY 523 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cgh s ALA 524 N -2.00 2.24 -1.31 4.61 0.00 -1.26 -4.91 121.76 119.13 3cgh s ALA 524 Ca 0.00 1.03 -0.18 0.00 0.00 0.00 0.00 51.96 52.81 3cgh s ALA 524 Cb 0.00 -3.51 0.07 0.00 0.00 0.00 0.00 23.12 19.68 3cgh s ALA 524 CO 0.00 -1.73 1.77 -3.47 0.00 0.00 0.00 175.76 172.33 3cgh n ASP 525 N -2.32 4.87 0.00 0.00 2.03 -1.26 -4.53 116.55 115.34 3cgh n ASP 525 Ca 0.14 -2.92 0.00 0.00 0.52 0.00 0.00 54.79 52.54 3cgh n ASP 525 Cb 0.49 -1.74 0.00 0.00 -0.72 0.00 0.00 41.12 39.15 3cgh n ASP 525 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 3cgh n ASN 526 N 8.20 0.00 0.00 1.67 0.23 -1.26 -4.78 115.26 119.33 3cgh n ASN 526 Ca 0.49 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.54 3cgh n ASN 526 Cb 0.45 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.15 3cgh n ASN 526 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3cgh n ALA 528 N -3.00 0.00 -2.50 -2.53 0.00 -1.26 -4.61 120.51 106.61 3cgh n ALA 528 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 3cgh n ALA 528 Cb 0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 19.45 19.41 3cgh n ALA 528 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3cgh s THR 529 N -0.02 4.49 0.35 0.00 2.01 -1.26 -4.78 115.64 116.43 3cgh s THR 529 Ca 0.00 1.85 -0.25 0.00 0.31 0.00 0.00 61.69 63.60 3cgh s THR 529 Cb 0.00 -4.19 -0.10 0.00 0.01 0.00 0.00 72.50 68.23 3cgh s THR 529 CO 0.00 0.18 1.00 -1.81 -0.69 0.00 0.00 174.62 173.30 3cgh s ASP 530 N 0.77 7.09 0.77 3.53 1.01 -1.26 -4.19 116.67 124.40 3cgh s ASP 530 Ca 0.53 1.94 -0.11 0.00 0.71 0.00 0.00 52.55 55.62 3cgh s ASP 530 Cb -0.24 -2.58 0.06 0.00 1.01 0.00 0.00 42.92 41.16 3cgh s ASP 530 CO 0.29 -0.25 1.08 0.68 0.21 0.00 0.00 175.17 177.19 3cgh s VAL 531 N -1.62 3.36 0.23 -1.27 -7.23 -1.26 -4.94 120.40 107.67 3cgh s VAL 531 Ca 0.53 0.44 -0.06 0.00 -1.81 0.00 0.00 61.98 61.09 3cgh s VAL 531 Cb -0.21 -3.11 0.19 0.00 0.56 0.00 0.00 36.38 33.82 3cgh s VAL 531 CO 0.26 -0.58 1.79 -0.25 -0.31 0.00 0.00 175.10 176.02 3cgh h TRP 532 N -1.04 0.74 0.00 2.82 7.01 -1.91 -1.46 115.95 122.11 3cgh h TRP 532 Ca -0.46 0.03 0.00 0.00 2.11 0.00 0.00 58.89 60.57 3cgh h TRP 532 Cb 1.25 -0.22 0.00 0.00 -2.10 0.00 0.00 29.16 28.09 3cgh h TRP 532 CO 0.53 0.29 0.00 -2.67 -2.79 0.00 0.00 178.44 173.79 3cgh n TRP 533 N -4.80 0.70 -2.09 2.65 4.27 -1.26 -4.13 117.44 112.78 3cgh n TRP 533 Ca 0.12 0.24 -0.41 0.00 -3.89 0.00 0.00 57.50 53.56 3cgh n TRP 533 Cb 0.27 -0.89 -0.00 0.00 -1.36 0.00 0.00 31.31 29.33 3cgh n TRP 533 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 3cgh n ALA 534 N -1.73 6.03 -1.30 -1.67 0.00 -0.55 -4.50 120.51 116.79 3cgh n ALA 534 Ca 0.04 -4.15 0.07 0.00 0.00 0.00 0.00 53.44 49.41 3cgh n ALA 534 Cb 0.31 -2.99 0.10 0.00 0.00 0.00 0.00 19.45 16.87 3cgh n ALA 534 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3cgh n SER 535 N 3.32 1.72 -4.70 0.00 3.41 -1.26 -4.79 113.62 111.33 3cgh n SER 535 Ca 0.51 -2.78 -0.43 0.00 -0.26 0.00 0.00 58.87 55.91 3cgh n SER 535 Cb 0.32 -0.36 -0.02 0.00 -0.26 0.00 0.00 64.21 63.89 3cgh n SER 535 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 3cgh n LYS 536 N -1.05 2.21 0.00 4.33 4.81 -1.26 -4.90 118.16 122.31 3cgh n LYS 536 Ca 0.12 0.78 0.02 0.00 -0.87 0.00 0.00 58.31 58.36 3cgh n LYS 536 Cb 0.65 -2.45 0.14 0.00 0.02 0.00 0.00 35.03 33.39 3cgh n LYS 536 CO 0.00 0.00 0.00 0.36 1.17 0.00 0.00 177.40 178.93