#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h3i n VAL 30 N 0.00 3.07 0.00 0.00 0.24 -1.26 -4.89 118.33 115.49 3h3i n VAL 30 Ca 0.00 -1.79 0.00 0.00 -2.04 0.00 0.00 64.34 60.51 3h3i n VAL 30 Cb 0.00 -0.50 0.00 0.00 -1.47 0.00 0.00 33.84 31.87 3h3i n VAL 30 CO 0.00 0.00 0.00 -1.84 -2.14 0.00 0.00 176.83 172.85 3h3i n GLU 31 N -1.02 0.00 -0.13 7.34 -0.00 -1.26 -3.42 120.64 122.15 3h3i n GLU 31 Ca 0.56 0.00 -0.01 0.00 -0.00 0.00 0.00 57.16 57.71 3h3i n GLU 31 Cb 1.60 0.00 -0.01 0.00 -0.00 0.00 0.00 31.44 33.03 3h3i n GLU 31 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.13 177.49 3h3i n LYS 32 N -0.23 0.26 -0.27 3.44 2.85 -1.26 -4.82 118.16 118.13 3h3i n LYS 32 Ca 0.00 -0.08 0.00 0.00 -1.05 0.00 0.00 58.31 57.18 3h3i n LYS 32 Cb 0.00 -1.49 0.00 0.00 -0.65 0.00 0.00 35.03 32.89 3h3i n LYS 32 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3h3i n ALA 34 N 2.36 -1.00 0.00 0.58 0.00 -1.22 -5.05 120.51 116.19 3h3i n ALA 34 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 3h3i n ALA 34 Cb 0.12 -0.15 0.00 0.00 0.00 0.00 0.00 19.45 19.43 3h3i n ALA 34 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h3i n GLY 35 N -0.63 0.28 3.54 0.00 0.00 0.43 -4.93 105.19 103.89 3h3i n GLY 35 Ca 0.00 -1.06 -0.35 0.00 0.00 0.00 0.00 46.02 44.62 3h3i n GLY 35 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3h3i s ASP 36 N 0.00 5.20 0.12 1.61 1.01 -1.26 -1.01 116.67 122.34 3h3i s ASP 36 Ca 0.00 -0.07 0.07 0.00 0.71 0.00 0.00 52.55 53.27 3h3i s ASP 36 Cb 0.00 -1.89 -0.04 0.00 1.01 0.00 0.00 42.92 42.01 3h3i s ASP 36 CO 0.00 0.12 -0.18 0.26 0.21 0.00 0.00 175.17 175.58 3h3i s TRP 37 N 0.66 1.65 -0.26 4.23 0.52 -1.26 -0.19 118.94 124.29 3h3i s TRP 37 Ca 0.01 -0.46 -0.05 0.00 0.02 0.00 0.00 56.10 55.62 3h3i s TRP 37 Cb -0.14 -0.87 0.01 0.00 -1.15 0.00 0.00 33.47 31.32 3h3i s TRP 37 CO 0.02 0.21 0.01 -1.58 0.02 0.00 0.00 176.95 175.63 3h3i s TRP 38 N -1.62 3.09 0.26 -1.98 0.52 -0.38 -4.22 118.94 114.61 3h3i s TRP 38 Ca 0.09 -1.12 0.05 0.00 0.02 0.00 0.00 56.10 55.14 3h3i s TRP 38 Cb -0.08 -2.16 -0.06 0.00 -1.15 0.00 0.00 33.47 30.02 3h3i s TRP 38 CO 0.04 -0.61 -0.04 0.14 0.02 0.00 0.00 176.95 176.51 3h3i s VAL 39 N 1.45 1.42 0.15 4.03 -7.23 0.57 -1.60 120.40 119.18 3h3i s VAL 39 Ca 0.03 -2.09 0.09 0.00 -1.81 0.00 0.00 61.98 58.20 3h3i s VAL 39 Cb -0.16 -2.43 -0.04 0.00 0.56 0.00 0.00 36.38 34.31 3h3i s VAL 39 CO -0.01 -0.30 -0.20 0.42 -0.31 0.00 0.00 175.10 174.70 3h3i s THR 40 N -3.16 1.86 -0.26 5.32 -4.23 -0.26 0.26 115.64 115.18 3h3i s THR 40 Ca 0.29 -1.81 -0.01 0.00 -1.18 0.00 0.00 61.69 58.98 3h3i s THR 40 Cb 0.05 -1.80 0.03 0.00 1.34 0.00 0.00 72.50 72.12 3h3i s THR 40 CO 0.11 -0.20 -0.06 -0.69 -0.54 0.00 0.00 174.62 173.24 3h3i s VAL 41 N -1.71 2.79 0.48 2.29 1.01 -1.26 -2.05 120.40 121.95 3h3i s VAL 41 Ca 0.13 -1.17 0.09 0.00 0.00 0.00 0.00 61.98 61.03 3h3i s VAL 41 Cb -0.07 -2.47 0.04 0.00 0.00 0.00 0.00 36.38 33.87 3h3i s VAL 41 CO 0.06 0.12 0.64 0.20 0.00 0.00 0.00 175.10 176.13 3h3i s ASN 42 N 1.28 5.40 -0.02 3.32 0.01 0.00 -3.55 114.94 121.38 3h3i s ASN 42 Ca -0.02 -0.62 -0.11 0.00 -0.71 0.00 0.00 52.86 51.40 3h3i s ASN 42 Cb -0.18 -0.27 0.02 0.00 0.41 0.00 0.00 41.25 41.24 3h3i s ASN 42 CO -0.04 -0.99 0.24 0.00 -1.51 0.00 0.00 177.10 174.80 3h3i s ALA 43 N -2.49 -0.60 -0.41 0.60 0.00 -0.79 -0.69 121.76 117.38 3h3i s ALA 43 Ca 0.57 0.25 -0.23 0.00 0.00 0.00 0.00 51.96 52.55 3h3i s ALA 43 Cb -0.08 -0.01 0.02 0.00 0.00 0.00 0.00 23.12 23.05 3h3i s ALA 43 CO 0.35 -0.22 0.77 -0.06 0.00 0.00 0.00 175.76 176.60 3h3i s PHE 44 N -1.07 3.05 -0.15 0.00 0.08 -0.58 0.62 117.98 119.94 3h3i s PHE 44 Ca -0.11 0.32 0.02 0.00 0.12 0.00 0.00 56.93 57.27 3h3i s PHE 44 Cb -0.05 -3.51 0.01 0.00 -0.57 0.00 0.00 43.02 38.90 3h3i s PHE 44 CO 0.03 -0.86 -0.20 0.42 -0.10 0.00 0.00 175.22 174.51 3h3i s ILE 45 N 3.16 1.92 -1.40 0.64 1.01 0.25 -4.43 121.20 122.35 3h3i s ILE 45 Ca 0.30 -0.88 -0.09 0.00 0.00 0.00 0.00 60.65 59.97 3h3i s ILE 45 Cb -0.13 -1.73 0.03 0.00 0.01 0.00 0.00 42.46 40.65 3h3i s ILE 45 CO 0.20 0.52 1.07 0.47 0.00 0.00 0.00 174.94 177.20 3h3i n ASP 46 N 4.32 -5.12 0.00 3.58 8.00 -1.26 -1.78 116.55 124.28 3h3i n ASP 46 Ca -0.20 -0.65 0.00 0.00 0.71 0.00 0.00 54.79 54.65 3h3i n ASP 46 Cb 0.51 -4.59 0.00 0.00 -0.02 0.00 0.00 41.12 37.02 3h3i n ASP 46 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3h3i n GLY 47 N -1.80 0.52 3.15 0.44 0.00 -1.26 -5.01 105.19 101.23 3h3i n GLY 47 Ca -0.03 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.72 3h3i n GLY 47 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3h3i s LYS 48 N -0.44 2.02 -0.24 1.61 0.00 -0.73 -5.08 119.74 116.88 3h3i s LYS 48 Ca 0.00 -0.66 -0.29 0.00 0.00 0.00 0.00 55.97 55.02 3h3i s LYS 48 Cb 0.00 -1.71 -0.02 0.00 0.00 0.00 0.00 37.83 36.10 3h3i s LYS 48 CO 0.00 0.24 1.55 -2.00 0.00 0.00 0.00 175.35 175.13 3h3i s GLU 49 N 0.10 3.81 -0.15 1.78 2.12 -1.26 -0.58 118.70 124.52 3h3i s GLU 49 Ca -0.06 1.56 -0.10 0.00 0.36 0.00 0.00 54.97 56.73 3h3i s GLU 49 Cb -0.13 -4.00 -0.05 0.00 0.26 0.00 0.00 34.13 30.21 3h3i s GLU 49 CO 0.03 -1.26 0.17 0.08 -0.54 0.00 0.00 175.26 173.74 3h3i s VAL 50 N 5.04 5.42 0.07 3.70 1.01 0.20 -4.94 120.40 130.89 3h3i s VAL 50 Ca 0.68 0.27 -0.30 0.00 0.00 0.00 0.00 61.98 62.63 3h3i s VAL 50 Cb -0.23 -3.47 -0.05 0.00 0.00 0.00 0.00 36.38 32.62 3h3i s VAL 50 CO 0.28 0.51 1.13 -0.70 0.00 0.00 0.00 175.10 176.32 3h3i s GLU 51 N -0.25 4.49 -0.24 2.72 2.12 -1.26 -1.89 118.70 124.39 3h3i s GLU 51 Ca 0.13 1.68 -0.05 0.00 0.36 0.00 0.00 54.97 57.09 3h3i s GLU 51 Cb -0.12 -3.36 0.01 0.00 0.26 0.00 0.00 34.13 30.92 3h3i s GLU 51 CO 0.02 -0.15 0.15 -3.47 -0.54 0.00 0.00 175.26 171.26 3h3i n ASP 52 N 3.66 -1.01 0.31 -1.70 2.03 -1.23 -4.77 116.55 113.85 3h3i n ASP 52 Ca 0.07 -0.27 0.19 0.00 0.52 0.00 0.00 54.79 55.31 3h3i n ASP 52 Cb 0.47 -0.36 1.00 0.00 -0.72 0.00 0.00 41.12 41.51 3h3i n ASP 52 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 3h3i h PRO 53 N 1.32 0.00 -0.00 -0.67 0.13 -1.76 -1.59 132.00 129.43 3h3i h PRO 53 Ca -0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.97 3h3i h PRO 53 Cb 0.32 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.45 3h3i h PRO 53 CO 0.10 0.02 -0.51 1.19 -0.23 0.00 0.00 178.00 178.58 3h3i n PHE 54 N -3.22 0.00 -1.56 1.56 3.72 -1.26 -4.93 117.46 111.76 3h3i n PHE 54 Ca -0.02 0.00 -0.08 0.00 -0.05 0.00 0.00 57.45 57.30 3h3i n PHE 54 Cb 0.15 -0.22 -0.02 0.00 -0.94 0.00 0.00 39.48 38.45 3h3i n PHE 54 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3h3i n GLY 55 N 1.48 0.64 0.26 1.37 0.00 -0.60 -4.92 105.19 103.41 3h3i n GLY 55 Ca 0.06 -0.65 0.12 0.00 0.00 0.00 0.00 46.02 45.56 3h3i n GLY 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h3i h ALA 56 N 0.13 1.24 -0.43 4.61 0.00 -1.92 -3.49 119.26 119.41 3h3i h ALA 56 Ca -0.17 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.62 3h3i h ALA 56 Cb 0.73 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.50 3h3i h ALA 56 CO 0.23 0.17 0.00 0.41 0.00 0.00 0.00 179.25 180.06 3h3i n GLY 57 N -0.55 -0.26 3.72 0.00 0.00 -1.26 -4.74 105.19 102.09 3h3i n GLY 57 Ca -0.01 -1.04 -0.42 0.00 0.00 0.00 0.00 46.02 44.54 3h3i n GLY 57 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3h3i s HIS 58 N 0.00 3.68 0.03 1.61 3.76 -1.26 -4.55 115.29 118.55 3h3i s HIS 58 Ca 0.00 1.68 0.07 0.00 -0.15 0.00 0.00 55.06 56.66 3h3i s HIS 58 Cb 0.00 -3.14 -0.02 0.00 1.11 0.00 0.00 32.58 30.53 3h3i s HIS 58 CO 0.00 -0.11 -0.20 -0.51 -0.85 0.00 0.00 174.74 173.07 3h3i s LEU 59 N 0.64 2.13 0.60 0.89 1.43 0.14 -4.92 118.68 119.59 3h3i s LEU 59 Ca 0.51 -0.47 -0.06 0.00 -1.03 0.00 0.00 54.13 53.08 3h3i s LEU 59 Cb -0.23 -0.97 0.01 0.00 0.03 0.00 0.00 46.19 45.03 3h3i s LEU 59 CO 0.29 0.18 0.91 -1.10 0.23 0.00 0.00 176.35 176.86 3h3i s GLN 60 N -0.97 2.91 0.02 1.70 -0.21 -1.26 -0.32 119.66 121.53 3h3i s GLN 60 Ca 0.07 0.02 -0.27 0.00 0.02 0.00 0.00 55.36 55.20 3h3i s GLN 60 Cb -0.08 -2.26 0.07 0.00 1.00 0.00 0.00 33.01 31.74 3h3i s GLN 60 CO 0.01 -0.72 0.62 -1.12 -2.12 0.00 0.00 175.29 171.96 3h3i s SER 62 N -4.31 -0.59 0.04 5.90 0.01 -0.62 -4.59 113.70 109.54 3h3i s SER 62 Ca 0.54 0.44 0.07 0.00 1.31 0.00 0.00 55.95 58.31 3h3i s SER 62 Cb -0.11 0.54 -0.02 0.00 0.21 0.00 0.00 66.02 66.64 3h3i s SER 62 CO 0.46 -0.71 -0.19 0.42 0.41 0.00 0.00 173.24 173.62 3h3i s THR 63 N -2.01 1.53 0.12 1.44 -4.23 -0.18 -1.08 115.64 111.23 3h3i s THR 63 Ca -0.07 -1.11 -0.23 0.00 -1.18 0.00 0.00 61.69 59.09 3h3i s THR 63 Cb -0.00 -1.34 0.06 0.00 1.34 0.00 0.00 72.50 72.56 3h3i s THR 63 CO 0.02 0.19 0.58 -0.72 -0.54 0.00 0.00 174.62 174.15 3h3i s TYR 64 N -0.76 -0.50 0.83 3.99 -0.85 -0.68 -0.43 117.35 118.94 3h3i s TYR 64 Ca 0.06 0.40 -0.13 0.00 -0.52 0.00 0.00 57.07 56.88 3h3i s TYR 64 Cb -0.08 0.48 0.09 0.00 0.38 0.00 0.00 41.96 42.82 3h3i s TYR 64 CO 0.01 -0.78 1.17 0.09 -1.52 0.00 0.00 175.55 174.52 3h3i n ASN 65 N -0.10 0.84 -4.86 -0.18 4.13 -1.26 0.16 115.26 113.99 3h3i n ASN 65 Ca -0.17 0.56 -0.31 0.00 1.68 0.00 0.00 54.58 56.34 3h3i n ASN 65 Cb 0.63 -1.49 0.02 0.00 -1.54 0.00 0.00 39.78 37.40 3h3i n ASN 65 CO 0.00 0.00 0.00 0.42 0.28 0.00 0.00 177.26 177.96 3h3i s THR 66 N -2.19 4.44 0.66 3.41 -4.23 -1.26 -4.65 115.64 111.82 3h3i s THR 66 Ca 0.72 0.79 0.43 0.00 -1.18 0.00 0.00 61.69 62.45 3h3i s THR 66 Cb -0.28 -3.71 0.43 0.00 1.34 0.00 0.00 72.50 70.28 3h3i s THR 66 CO 0.52 -1.04 2.35 0.00 -0.54 0.00 0.00 174.62 175.91 3h3i h ALA 67 N -0.46 1.07 -0.01 3.99 0.00 -2.00 0.28 119.26 122.13 3h3i h ALA 67 Ca -0.44 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.47 3h3i h ALA 67 Cb 1.20 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.99 3h3i h ALA 67 CO 0.61 -0.02 -0.06 0.43 0.00 0.00 0.00 179.25 180.21 3h3i n SER 68 N -3.15 1.39 -3.40 0.00 7.64 -1.26 -4.95 113.62 109.89 3h3i n SER 68 Ca -0.03 -1.36 -0.20 0.00 1.01 0.00 0.00 58.87 58.29 3h3i n SER 68 Cb 0.09 0.03 0.08 0.00 -1.01 0.00 0.00 64.21 63.39 3h3i n SER 68 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 3h3i n ASN 69 N -0.01 -4.05 -4.72 6.43 5.15 0.99 -4.94 115.26 114.11 3h3i n ASN 69 Ca 0.18 -0.56 -0.37 0.00 -0.60 0.00 0.00 54.58 53.23 3h3i n ASN 69 Cb 0.35 -4.89 0.07 0.00 -0.53 0.00 0.00 39.78 34.78 3h3i n ASN 69 CO 0.00 0.00 0.00 -0.24 1.40 0.00 0.00 177.26 178.42 3h3i n SER 70 N -2.94 2.02 0.01 1.20 2.88 -1.26 -4.67 113.62 110.86 3h3i n SER 70 Ca -0.14 0.83 0.08 0.00 -1.33 0.00 0.00 58.87 58.32 3h3i n SER 70 Cb 0.61 -1.55 -0.12 0.00 -0.75 0.00 0.00 64.21 62.40 3h3i n SER 70 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 3h3i n GLU 71 N -1.82 0.65 0.00 -1.46 1.02 -1.26 -4.14 120.64 113.63 3h3i n GLU 71 Ca 0.16 -0.07 0.10 0.00 -0.02 0.00 0.00 57.16 57.32 3h3i n GLU 71 Cb 0.48 -1.62 -0.04 0.00 -0.02 0.00 0.00 31.44 30.25 3h3i n GLU 71 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 3h3i n THR 72 N -2.45 0.00 -4.03 2.62 -2.24 -1.26 -4.55 114.28 102.37 3h3i n THR 72 Ca -0.06 -0.21 -0.14 0.00 -2.27 0.00 0.00 64.05 61.36 3h3i n THR 72 Cb 0.64 1.17 -0.02 0.00 -2.10 0.00 0.00 70.33 70.02 3h3i n THR 72 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 3h3i n GLU 73 N -0.46 0.80 -4.27 -0.78 0.28 -1.26 0.20 120.64 115.14 3h3i n GLU 73 Ca 0.07 -2.80 -0.34 0.00 -0.16 0.00 0.00 57.16 53.93 3h3i n GLU 73 Cb 0.39 2.80 -0.09 0.00 1.43 0.00 0.00 31.44 35.97 3h3i n GLU 73 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 177.13 175.39 3h3i s TRP 75 N -2.72 3.21 -0.10 -1.84 0.52 0.12 -4.50 118.94 113.62 3h3i s TRP 75 Ca 0.28 0.21 0.03 0.00 0.02 0.00 0.00 56.10 56.63 3h3i s TRP 75 Cb -0.02 -1.78 0.01 0.00 -1.15 0.00 0.00 33.47 30.54 3h3i s TRP 75 CO 0.20 0.51 -0.19 -1.17 0.02 0.00 0.00 176.95 176.32 3h3i s LEU 76 N -1.13 1.89 -0.05 2.99 0.20 0.93 -1.68 118.68 121.84 3h3i s LEU 76 Ca 0.16 -0.48 -0.02 0.00 0.69 0.00 0.00 54.13 54.48 3h3i s LEU 76 Cb -0.12 -1.20 0.03 0.00 -0.43 0.00 0.00 46.19 44.47 3h3i s LEU 76 CO 0.05 0.07 0.07 -0.62 -0.29 0.00 0.00 176.35 175.64 3h3i s ASP 77 N 0.70 1.14 0.00 3.68 -1.08 -0.24 -0.88 116.67 119.98 3h3i s ASP 77 Ca -0.12 0.08 0.25 0.00 -0.52 0.00 0.00 52.55 52.24 3h3i s ASP 77 Cb -0.16 -0.10 1.16 0.00 -1.46 0.00 0.00 42.92 42.36 3h3i s ASP 77 CO 0.03 -0.25 1.78 -0.90 0.52 0.00 0.00 175.17 176.35 3h3i n ASP 78 N 5.30 0.87 -1.86 -0.34 5.75 -0.41 -1.59 116.55 124.28 3h3i n ASP 78 Ca -0.03 -1.43 -0.21 0.00 -0.01 0.00 0.00 54.79 53.10 3h3i n ASP 78 Cb 0.50 -0.03 -0.06 0.00 -1.03 0.00 0.00 41.12 40.50 3h3i n ASP 78 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 3h3i n LEU 79 N -0.26 -1.66 0.00 -2.12 4.77 -1.26 -0.83 117.00 115.64 3h3i n LEU 79 Ca 0.18 0.34 0.00 0.00 -0.03 0.00 0.00 56.01 56.50 3h3i n LEU 79 Cb 0.23 -2.89 0.00 0.00 -2.33 0.00 0.00 43.42 38.43 3h3i n LEU 79 CO 0.14 -0.81 0.00 0.61 -1.33 0.00 0.00 177.39 176.01 3h3i n GLY 80 N -0.59 0.58 0.12 -0.72 0.00 -1.26 -4.92 105.19 98.40 3h3i n GLY 80 Ca -0.22 0.00 0.12 0.00 0.00 0.00 0.00 46.02 45.92 3h3i n GLY 80 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3h3i h ASN 81 N 0.00 0.00 0.00 1.61 2.35 -1.28 -3.42 115.58 114.85 3h3i h ASN 81 Ca 0.00 -0.06 0.00 0.00 -0.55 0.00 0.00 56.30 55.69 3h3i h ASN 81 Cb 0.09 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.46 3h3i h ASN 81 CO 0.00 0.03 0.00 0.33 -1.65 0.00 0.00 177.43 176.14 3h3i n PHE 82 N -2.56 0.00 0.53 1.19 7.35 -1.26 -4.95 117.46 117.75 3h3i n PHE 82 Ca 0.03 0.00 0.11 0.00 -0.76 0.00 0.00 57.45 56.82 3h3i n PHE 82 Cb 0.50 0.00 -0.12 0.00 0.35 0.00 0.00 39.48 40.21 3h3i n PHE 82 CO 0.00 0.00 0.00 1.87 -0.76 0.00 0.00 176.76 177.87 3h3i n TRP 83 N -0.63 0.05 -1.73 -5.13 -0.00 -1.26 -5.01 117.44 103.72 3h3i n TRP 83 Ca 0.00 0.01 -0.00 0.00 -0.00 0.00 0.00 57.50 57.51 3h3i n TRP 83 Cb 0.00 -0.27 0.00 0.00 -0.00 0.00 0.00 31.31 31.04 3h3i n TRP 83 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 177.69 178.08 3h3i n GLU 84 N -1.88 -0.23 -3.97 5.87 1.02 -1.26 -5.06 120.64 115.13 3h3i n GLU 84 Ca 0.00 0.67 -0.09 0.00 -0.02 0.00 0.00 57.16 57.72 3h3i n GLU 84 Cb 0.44 -2.15 -0.11 0.00 -0.02 0.00 0.00 31.44 29.60 3h3i n GLU 84 CO 0.00 0.00 0.00 1.52 1.18 0.00 0.00 177.13 179.83 3h3i s TYR 85 N -2.71 0.24 -0.17 -0.32 1.13 -1.26 -4.56 117.35 109.69 3h3i s TYR 85 Ca 0.01 -0.48 -0.09 0.00 -1.41 0.00 0.00 57.07 55.09 3h3i s TYR 85 Cb -0.00 -0.17 0.06 0.00 -1.10 0.00 0.00 41.96 40.74 3h3i s TYR 85 CO 0.12 -0.17 0.42 0.21 -2.51 0.00 0.00 175.55 173.61 3h3i s LYS 86 N -1.33 0.40 0.19 -3.49 2.20 -1.26 -1.28 119.74 115.17 3h3i s LYS 86 Ca -0.15 0.80 -0.23 0.00 -0.36 0.00 0.00 55.97 56.03 3h3i s LYS 86 Cb -0.09 -0.02 0.05 0.00 -1.51 0.00 0.00 37.83 36.26 3h3i s LYS 86 CO -0.01 -0.16 0.81 -0.48 -0.36 0.00 0.00 175.35 175.16 3h3i s LEU 87 N 1.39 -0.27 0.14 5.43 2.34 -0.06 -0.80 118.68 126.85 3h3i s LEU 87 Ca -0.09 -0.41 -0.17 0.00 0.06 0.00 0.00 54.13 53.52 3h3i s LEU 87 Cb -0.08 2.43 -0.07 0.00 -0.56 0.00 0.00 46.19 47.91 3h3i s LEU 87 CO -0.13 -1.07 0.58 -0.54 -1.06 0.00 0.00 176.35 174.14 3h3i s LYS 88 N -3.58 4.09 0.10 1.48 1.02 -1.26 -0.05 119.74 121.54 3h3i s LYS 88 Ca 0.10 0.63 0.10 0.00 0.02 0.00 0.00 55.97 56.82 3h3i s LYS 88 Cb -0.03 -3.02 -0.04 0.00 -0.52 0.00 0.00 37.83 34.22 3h3i s LYS 88 CO 0.02 0.51 -0.25 0.14 -0.92 0.00 0.00 175.35 174.85 3h3i s VAL 89 N -1.36 2.09 0.35 3.17 -7.23 -1.26 -4.86 120.40 111.30 3h3i s VAL 89 Ca 0.36 -1.59 -0.26 0.00 -1.81 0.00 0.00 61.98 58.68 3h3i s VAL 89 Cb -0.17 -1.84 -0.09 0.00 0.56 0.00 0.00 36.38 34.84 3h3i s VAL 89 CO 0.19 0.15 1.05 0.20 -0.31 0.00 0.00 175.10 176.38 3h3i s ASN 90 N -1.76 6.98 0.05 4.85 0.01 0.16 -4.35 114.94 120.89 3h3i s ASN 90 Ca 0.12 2.08 0.05 0.00 -0.71 0.00 0.00 52.86 54.40 3h3i s ASN 90 Cb -0.10 -2.60 -0.03 0.00 0.41 0.00 0.00 41.25 38.94 3h3i s ASN 90 CO 0.04 -0.34 -0.15 -0.69 -1.51 0.00 0.00 177.10 174.46 3h3i s VAL 91 N -1.50 1.18 -0.33 1.60 1.01 0.13 -1.92 120.40 120.57 3h3i s VAL 91 Ca 0.53 -1.15 0.01 0.00 0.00 0.00 0.00 61.98 61.37 3h3i s VAL 91 Cb -0.25 -1.09 0.10 0.00 0.00 0.00 0.00 36.38 35.15 3h3i s VAL 91 CO 0.31 -0.07 0.09 0.21 0.00 0.00 0.00 175.10 175.64 3h3i s ASN 92 N -1.40 4.27 0.36 3.32 3.84 -0.56 -4.58 114.94 120.20 3h3i s ASN 92 Ca 0.01 -1.89 0.07 0.00 0.21 0.00 0.00 52.86 51.26 3h3i s ASN 92 Cb -0.09 -1.15 0.69 0.00 -0.55 0.00 0.00 41.25 40.16 3h3i s ASN 92 CO 0.02 -0.39 1.89 0.22 -2.79 0.00 0.00 177.10 176.05 3h3i h TYR 93 N 7.83 0.39 -0.25 0.43 3.20 -1.84 0.48 116.97 127.21 3h3i h TYR 93 Ca -0.10 -0.04 -0.04 0.00 3.14 0.00 0.00 58.73 61.69 3h3i h TYR 93 Cb 1.01 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 39.16 3h3i h TYR 93 CO 0.40 0.45 0.00 0.00 -1.64 0.00 0.00 178.16 177.38 3h3i h ALA 94 N 1.57 0.34 0.00 1.82 0.00 -1.96 -2.96 119.26 118.07 3h3i h ALA 94 Ca 0.07 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 3h3i h ALA 94 Cb 0.36 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 3h3i h ALA 94 CO 0.02 0.07 -0.12 0.00 0.00 0.00 0.00 179.25 179.22 3h3i h ALA 95 N 0.82 0.94 -3.79 0.00 0.00 -1.88 -3.47 119.26 111.87 3h3i h ALA 95 Ca 0.07 -0.11 -0.33 0.00 0.00 0.00 0.00 54.91 54.54 3h3i h ALA 95 Cb 0.41 -0.02 0.05 0.00 0.00 0.00 0.00 17.79 18.24 3h3i h ALA 95 CO 0.01 0.15 -0.50 0.54 0.00 0.00 0.00 179.25 179.45 3h3i n ARG 96 N -3.15 -4.13 -4.32 0.00 1.74 0.16 -4.91 116.66 102.05 3h3i n ARG 96 Ca 0.03 0.75 -0.24 0.00 -0.77 0.00 0.00 57.85 57.62 3h3i n ARG 96 Cb 0.53 -5.27 -0.08 0.00 -1.02 0.00 0.00 32.46 26.61 3h3i n ARG 96 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 3h3i s THR 97 N -3.07 3.28 0.03 0.55 -4.23 -1.03 -1.79 115.64 109.37 3h3i s THR 97 Ca 0.26 -1.96 -0.16 0.00 -1.18 0.00 0.00 61.69 58.66 3h3i s THR 97 Cb -0.11 -2.73 0.03 0.00 1.34 0.00 0.00 72.50 71.02 3h3i s THR 97 CO 0.32 -0.35 0.34 0.72 -0.54 0.00 0.00 174.62 175.12 3h3i s PHE 98 N -2.27 -0.18 0.01 3.99 -0.71 -0.60 -1.49 117.98 116.73 3h3i s PHE 98 Ca 0.30 0.13 -0.29 0.00 -1.04 0.00 0.00 56.93 56.03 3h3i s PHE 98 Cb -0.06 0.13 0.10 0.00 -1.21 0.00 0.00 43.02 41.98 3h3i s PHE 98 CO 0.19 -0.50 1.10 -1.54 -1.34 0.00 0.00 175.22 173.12 3h3i s SER 99 N -1.86 -0.17 0.35 1.98 1.04 -0.81 -1.18 113.70 113.06 3h3i s SER 99 Ca -0.07 -0.17 0.07 0.00 0.48 0.00 0.00 55.95 56.26 3h3i s SER 99 Cb -0.02 0.30 -0.01 0.00 0.10 0.00 0.00 66.02 66.39 3h3i s SER 99 CO -0.01 -0.54 0.43 0.42 0.98 0.00 0.00 173.24 174.53 3h3i s THR 100 N -2.82 3.68 -0.87 2.02 -4.23 -0.61 0.39 115.64 113.21 3h3i s THR 100 Ca 0.11 -1.12 -0.16 0.00 -1.18 0.00 0.00 61.69 59.34 3h3i s THR 100 Cb 0.01 -3.26 0.19 0.00 1.34 0.00 0.00 72.50 70.77 3h3i s THR 100 CO -0.03 -0.13 0.90 -0.89 -0.54 0.00 0.00 174.62 173.93 3h3i s THR 101 N -2.25 5.31 0.00 3.99 2.01 -1.26 -4.77 115.64 118.66 3h3i s THR 101 Ca 0.46 -2.17 0.00 0.00 0.31 0.00 0.00 61.69 60.29 3h3i s THR 101 Cb -0.08 -4.58 0.00 0.00 0.01 0.00 0.00 72.50 67.85 3h3i s THR 101 CO 0.30 -1.20 0.00 0.61 -0.69 0.00 0.00 174.62 173.64 3h3i n GLY 102 N 4.49 0.01 3.68 4.40 0.00 -1.26 -4.67 105.19 111.84 3h3i n GLY 102 Ca 0.18 -0.97 -0.43 0.00 0.00 0.00 0.00 46.02 44.80 3h3i n GLY 102 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3h3i s PHE 103 N 0.00 3.25 0.19 1.61 0.40 -1.26 -4.39 117.98 117.78 3h3i s PHE 103 Ca 0.00 1.34 0.11 0.00 -0.60 0.00 0.00 56.93 57.78 3h3i s PHE 103 Cb 0.00 -3.34 -0.04 0.00 0.51 0.00 0.00 43.02 40.15 3h3i s PHE 103 CO 0.00 -0.89 -0.23 0.14 0.70 0.00 0.00 175.22 174.94 3h3i s VAL 104 N 2.65 2.26 0.24 -0.44 -7.23 -0.15 -4.82 120.40 112.91 3h3i s VAL 104 Ca 0.51 -2.01 -0.31 0.00 -1.81 0.00 0.00 61.98 58.35 3h3i s VAL 104 Cb -0.20 -2.07 -0.13 0.00 0.56 0.00 0.00 36.38 34.54 3h3i s VAL 104 CO 0.16 -0.15 1.55 0.47 -0.31 0.00 0.00 175.10 176.82 3h3i n ASP 105 N 0.28 3.37 -4.77 4.85 8.00 -1.26 -0.49 116.55 126.53 3h3i n ASP 105 Ca -0.13 1.12 -0.39 0.00 0.71 0.00 0.00 54.79 56.10 3h3i n ASP 105 Cb 0.56 -1.50 -0.06 0.00 -0.02 0.00 0.00 41.12 40.10 3h3i n ASP 105 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 3h3i s ASN 106 N 0.60 7.47 0.01 -2.24 2.47 0.59 -4.76 114.94 119.08 3h3i s ASN 106 Ca 0.70 1.76 0.22 0.00 0.42 0.00 0.00 52.86 55.96 3h3i s ASN 106 Cb -0.58 -2.54 -0.09 0.00 -1.45 0.00 0.00 41.25 36.58 3h3i s ASN 106 CO 0.44 0.16 0.91 0.52 -3.72 0.00 0.00 177.10 175.41 3h3i n VAL 107 N 1.42 0.07 0.01 -5.21 0.31 0.02 -4.37 118.33 110.58 3h3i n VAL 107 Ca -0.04 -0.18 -0.18 0.00 -0.01 0.00 0.00 64.34 63.93 3h3i n VAL 107 Cb 0.48 0.46 -0.11 0.00 -0.91 0.00 0.00 33.84 33.76 3h3i n VAL 107 CO 0.00 0.00 0.00 0.74 -1.32 0.00 0.00 176.83 176.25 3h3i h THR 108 N 0.00 1.42 -3.62 2.52 2.02 -1.84 -3.48 112.91 109.93 3h3i h THR 108 Ca 0.00 -2.13 -0.06 0.00 0.77 0.00 0.00 66.41 64.99 3h3i h THR 108 Cb 0.68 2.62 -0.10 0.00 -1.74 0.00 0.00 68.15 69.61 3h3i h THR 108 CO 0.00 0.62 -0.13 -0.72 0.37 0.00 0.00 175.52 175.66 3h3i s TYR 109 N -3.16 0.25 -0.53 3.16 1.13 -1.26 -5.08 117.35 111.87 3h3i s TYR 109 Ca -0.13 -0.61 -0.28 0.00 -1.41 0.00 0.00 57.07 54.64 3h3i s TYR 109 Cb 0.04 0.18 0.00 0.00 -1.10 0.00 0.00 41.96 41.08 3h3i s TYR 109 CO 0.83 -0.91 1.55 -1.83 -2.51 0.00 0.00 175.55 172.68 3h3i s GLU 110 N -3.97 3.20 0.07 -3.49 4.04 -1.26 -4.37 118.70 112.92 3h3i s GLU 110 Ca 0.18 0.66 -0.27 0.00 0.04 0.00 0.00 54.97 55.58 3h3i s GLU 110 Cb 0.00 -4.18 0.09 0.00 0.02 0.00 0.00 34.13 30.07 3h3i s GLU 110 CO 0.04 -2.04 1.16 -1.54 -1.84 0.00 0.00 175.26 171.04 3h3i s SER 111 N 5.29 -0.06 0.19 0.83 1.04 -1.26 -5.03 113.70 114.71 3h3i s SER 111 Ca 0.60 -0.33 0.09 0.00 0.48 0.00 0.00 55.95 56.79 3h3i s SER 111 Cb -0.13 0.31 -0.04 0.00 0.10 0.00 0.00 66.02 66.25 3h3i s SER 111 CO 0.26 -0.59 -0.19 -0.54 0.98 0.00 0.00 173.24 173.16 3h3i s LYS 112 N -2.47 1.39 0.00 4.02 1.02 -1.26 -0.30 119.74 122.14 3h3i s LYS 112 Ca 0.19 -1.51 0.00 0.00 0.02 0.00 0.00 55.97 54.67 3h3i s LYS 112 Cb 0.01 -1.47 -0.00 0.00 -0.52 0.00 0.00 37.83 35.85 3h3i s LYS 112 CO 0.00 0.29 -0.01 0.08 -0.92 0.00 0.00 175.35 174.80 3h3i s VAL 113 N -2.15 0.04 -0.16 3.17 1.01 0.35 -1.81 120.40 120.84 3h3i s VAL 113 Ca 0.20 -0.10 0.01 0.00 0.00 0.00 0.00 61.98 62.09 3h3i s VAL 113 Cb -0.05 -0.06 0.01 0.00 0.00 0.00 0.00 36.38 36.28 3h3i s VAL 113 CO 0.08 -0.04 -0.19 -0.75 0.00 0.00 0.00 175.10 174.21 3h3i s LYS 114 N -0.14 3.06 -0.14 2.72 2.20 0.08 -0.98 119.74 126.54 3h3i s LYS 114 Ca -0.01 -0.81 -0.03 0.00 -0.36 0.00 0.00 55.97 54.75 3h3i s LYS 114 Cb -0.01 -2.56 -0.03 0.00 -1.51 0.00 0.00 37.83 33.72 3h3i s LYS 114 CO -0.00 -0.11 -0.03 0.42 -0.36 0.00 0.00 175.35 175.27 3h3i s ILE 115 N 1.06 3.94 0.08 5.43 -1.09 -1.26 -1.32 121.20 128.04 3h3i s ILE 115 Ca -0.01 -0.35 0.01 0.00 -2.23 0.00 0.00 60.65 58.07 3h3i s ILE 115 Cb -0.14 -2.71 -0.04 0.00 -1.58 0.00 0.00 42.46 37.98 3h3i s ILE 115 CO -0.06 0.51 -0.05 0.42 -1.23 0.00 0.00 174.94 174.52 3h3i s THR 116 N 0.18 0.49 -1.19 2.92 -4.23 -1.26 -1.58 115.64 110.96 3h3i s THR 116 Ca -0.01 -1.88 -0.05 0.00 -1.18 0.00 0.00 61.69 58.57 3h3i s THR 116 Cb -0.14 -1.61 0.03 0.00 1.34 0.00 0.00 72.50 72.13 3h3i s THR 116 CO 0.03 -0.93 0.29 -0.67 -0.54 0.00 0.00 174.62 172.80 3h3i n ASP 117 N 0.03 -3.98 -4.73 3.99 2.03 -1.26 -4.69 116.55 107.94 3h3i n ASP 117 Ca -0.13 -0.12 -0.42 0.00 0.52 0.00 0.00 54.79 54.65 3h3i n ASP 117 Cb 0.61 -3.33 -0.03 0.00 -0.72 0.00 0.00 41.12 37.65 3h3i n ASP 117 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 3h3i s GLY 118 N -2.41 2.16 -0.15 0.27 0.00 -0.33 -4.27 107.32 102.58 3h3i s GLY 118 Ca 0.21 1.18 -0.14 0.00 0.00 0.00 0.00 44.72 45.97 3h3i s GLY 118 CO 0.26 2.27 0.40 1.25 0.00 0.00 0.00 173.10 177.28 3h3i s LYS 119 N 0.44 0.46 -0.18 2.90 2.20 -0.05 -1.55 119.74 123.96 3h3i s LYS 119 Ca 0.61 0.56 0.01 0.00 -0.36 0.00 0.00 55.97 56.79 3h3i s LYS 119 Cb -0.38 0.22 0.02 0.00 -1.51 0.00 0.00 37.83 36.19 3h3i s LYS 119 CO 0.35 -0.06 -0.19 0.08 -0.36 0.00 0.00 175.35 175.18 3h3i s VAL 120 N 0.22 2.03 -0.15 4.02 1.01 -0.74 -1.40 120.40 125.39 3h3i s VAL 120 Ca -0.00 -0.96 -0.02 0.00 0.00 0.00 0.00 61.98 61.00 3h3i s VAL 120 Cb -0.03 -1.86 -0.02 0.00 0.00 0.00 0.00 36.38 34.48 3h3i s VAL 120 CO 0.00 0.49 -0.10 -0.76 0.00 0.00 0.00 175.10 174.74 3h3i s LEU 121 N 1.29 2.84 0.13 3.92 1.43 -0.17 -4.87 118.68 123.26 3h3i s LEU 121 Ca 0.04 -0.31 -0.31 0.00 -1.03 0.00 0.00 54.13 52.52 3h3i s LEU 121 Cb -0.13 -1.67 -0.10 0.00 0.03 0.00 0.00 46.19 44.32 3h3i s LEU 121 CO -0.12 0.13 1.64 -0.70 0.23 0.00 0.00 176.35 177.52 3h3i s GLU 122 N 0.59 4.19 -1.00 1.70 2.12 -1.26 -0.46 118.70 124.58 3h3i s GLU 122 Ca -0.06 2.40 -0.08 0.00 0.36 0.00 0.00 54.97 57.59 3h3i s GLU 122 Cb -0.15 -3.35 0.07 0.00 0.26 0.00 0.00 34.13 30.96 3h3i s GLU 122 CO 0.03 -0.69 0.31 1.63 -0.54 0.00 0.00 175.26 176.00 3h3i n LYS 123 N 4.73 -2.68 0.04 4.30 4.76 -1.24 -4.83 118.16 123.23 3h3i n LYS 123 Ca 0.15 0.31 0.00 0.00 -2.87 0.00 0.00 58.31 55.90 3h3i n LYS 123 Cb 0.39 -4.92 -0.07 0.00 -1.84 0.00 0.00 35.03 28.58 3h3i n LYS 123 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3h3i h ALA 124 N 0.96 0.65 -1.34 7.82 0.00 -1.46 -3.40 119.26 122.50 3h3i h ALA 124 Ca -0.32 -0.80 -0.46 0.00 0.00 0.00 0.00 54.91 53.33 3h3i h ALA 124 Cb 1.22 0.24 0.06 0.00 0.00 0.00 0.00 17.79 19.31 3h3i h ALA 124 CO 0.42 0.88 0.02 0.00 0.00 0.00 0.00 179.25 180.57 3h3i s ALA 125 N -2.93 3.99 -0.04 0.00 0.00 0.18 -4.92 121.76 118.04 3h3i s ALA 125 Ca -0.02 -1.73 0.03 0.00 0.00 0.00 0.00 51.96 50.24 3h3i s ALA 125 Cb 0.09 -1.89 0.00 0.00 0.00 0.00 0.00 23.12 21.32 3h3i s ALA 125 CO 0.81 -1.13 -0.12 0.99 0.00 0.00 0.00 175.76 176.30 3h3i s THR 126 N -2.92 1.08 0.73 0.00 2.01 -1.26 -1.16 115.64 114.11 3h3i s THR 126 Ca 0.63 -0.51 -0.11 0.00 0.31 0.00 0.00 61.69 62.01 3h3i s THR 126 Cb -0.07 -0.95 0.03 0.00 0.01 0.00 0.00 72.50 71.52 3h3i s THR 126 CO 0.41 0.33 1.10 0.42 -0.69 0.00 0.00 174.62 176.19 3h3i s THR 127 N 0.24 3.37 0.63 -0.82 -4.23 -1.26 -4.91 115.64 108.66 3h3i s THR 127 Ca -0.06 0.45 0.35 0.00 -1.18 0.00 0.00 61.69 61.25 3h3i s THR 127 Cb -0.11 -3.36 0.38 0.00 1.34 0.00 0.00 72.50 70.75 3h3i s THR 127 CO 0.02 -0.58 2.19 -0.65 -0.54 0.00 0.00 174.62 175.06 3h3i h PRO 128 N -0.78 0.00 -0.46 3.99 0.11 -1.88 0.03 132.00 133.02 3h3i h PRO 128 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3h3i h PRO 128 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 3h3i h PRO 128 CO 0.62 0.00 0.00 0.43 -0.21 0.00 0.00 178.00 178.84 3h3i n SER 129 N -3.40 2.38 -1.95 -2.05 7.64 -1.26 -5.03 113.62 109.94 3h3i n SER 129 Ca -0.01 -2.06 -0.01 0.00 1.01 0.00 0.00 58.87 57.79 3h3i n SER 129 Cb 0.21 -0.31 0.00 0.00 -1.01 0.00 0.00 64.21 63.09 3h3i n SER 129 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3h3i n GLY 130 N 1.06 -2.39 3.62 0.23 0.00 -0.01 -5.17 105.19 102.54 3h3i n GLY 130 Ca 0.14 0.16 -0.31 0.00 0.00 0.00 0.00 46.02 46.01 3h3i n GLY 130 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3h3i s PRO 132 N -0.98 2.38 0.04 1.61 0.04 -1.26 -4.88 135.00 131.95 3h3i s PRO 132 Ca 0.04 -0.88 -0.17 0.00 0.04 0.00 0.00 61.00 60.02 3h3i s PRO 132 Cb -0.01 -2.43 0.03 0.00 0.04 0.00 0.00 34.50 32.13 3h3i s PRO 132 CO 0.28 0.54 0.40 0.00 0.04 0.00 0.00 177.00 178.26 3h3i s ALA 133 N -1.18 -0.96 0.45 8.56 0.00 -0.31 -4.78 121.76 123.53 3h3i s ALA 133 Ca 0.22 0.27 -0.25 0.00 0.00 0.00 0.00 51.96 52.19 3h3i s ALA 133 Cb -0.11 0.34 -0.08 0.00 0.00 0.00 0.00 23.12 23.27 3h3i s ALA 133 CO 0.13 -0.45 1.37 -0.51 0.00 0.00 0.00 175.76 176.31 3h3i s ASP 134 N -2.01 5.92 0.08 0.00 1.01 -1.26 -0.65 116.67 119.76 3h3i s ASP 134 Ca -0.05 2.80 0.04 0.00 0.71 0.00 0.00 52.55 56.05 3h3i s ASP 134 Cb -0.01 -2.65 -0.04 0.00 1.01 0.00 0.00 42.92 41.24 3h3i s ASP 134 CO -0.02 -1.14 0.03 -0.94 0.21 0.00 0.00 175.17 173.31 3h3i s SER 135 N -0.66 5.22 -0.03 0.27 1.04 0.39 -0.96 113.70 118.97 3h3i s SER 135 Ca 0.61 -0.11 0.04 0.00 0.48 0.00 0.00 55.95 56.97 3h3i s SER 135 Cb -0.41 -1.31 -0.00 0.00 0.10 0.00 0.00 66.02 64.40 3h3i s SER 135 CO 0.52 0.18 -0.13 -0.51 0.98 0.00 0.00 173.24 174.27 3h3i s ILE 136 N -1.34 1.11 -0.05 -1.02 2.07 -0.43 -1.00 121.20 120.55 3h3i s ILE 136 Ca 0.27 -0.56 -0.05 0.00 -1.41 0.00 0.00 60.65 58.90 3h3i s ILE 136 Cb -0.12 -0.96 0.01 0.00 0.13 0.00 0.00 42.46 41.53 3h3i s ILE 136 CO 0.20 0.33 0.14 0.68 -1.91 0.00 0.00 174.94 174.37 3h3i s VAL 137 N -0.02 0.01 0.00 4.00 -7.23 -0.49 -1.15 120.40 115.52 3h3i s VAL 137 Ca -0.01 -0.05 0.00 0.00 -1.81 0.00 0.00 61.98 60.11 3h3i s VAL 137 Cb -0.09 -0.22 0.00 0.00 0.56 0.00 0.00 36.38 36.63 3h3i s VAL 137 CO 0.01 -0.03 0.00 0.00 -0.31 0.00 0.00 175.10 174.77 3h3i n TYR 138 N 2.90 0.00 0.00 2.82 4.11 -0.40 -0.87 117.16 125.73 3h3i n TYR 138 Ca -0.13 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.77 3h3i n TYR 138 Cb 0.59 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.93 3h3i n TYR 138 CO 0.00 0.00 0.00 1.55 -0.00 0.00 0.00 176.86 178.41 3h3i n VAL 140 N 0.00 0.00 -4.31 -3.48 3.14 -0.27 -0.89 118.33 112.52 3h3i n VAL 140 Ca 0.00 0.00 -0.18 0.00 -2.96 0.00 0.00 64.34 61.20 3h3i n VAL 140 Cb 0.00 0.00 -0.15 0.00 -1.06 0.00 0.00 33.84 32.63 3h3i n VAL 140 CO 0.00 0.00 0.00 -1.10 -6.46 0.00 0.00 176.83 169.27 3h3i s GLN 141 N -1.45 0.65 -0.15 1.45 -0.21 -0.43 -0.70 119.66 118.83 3h3i s GLN 141 Ca 0.00 -0.28 0.00 0.00 0.02 0.00 0.00 55.36 55.10 3h3i s GLN 141 Cb 0.00 -0.63 -0.01 0.00 1.00 0.00 0.00 33.01 33.37 3h3i s GLN 141 CO 0.00 0.17 -0.14 -0.06 -2.12 0.00 0.00 175.29 173.14 3h3i s PHE 142 N -0.17 2.79 0.49 0.91 0.08 -1.26 -0.74 117.98 120.08 3h3i s PHE 142 Ca 0.03 -0.91 0.33 0.00 0.12 0.00 0.00 56.93 56.50 3h3i s PHE 142 Cb -0.03 -1.88 1.79 0.00 -0.57 0.00 0.00 43.02 42.33 3h3i s PHE 142 CO -0.00 -0.39 2.19 0.38 -0.10 0.00 0.00 175.22 177.29 3h3i h ASP 143 N 7.14 0.00 -0.44 1.36 2.03 -1.76 -1.15 116.42 123.60 3h3i h ASP 143 Ca -0.30 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.00 3h3i h ASP 143 Cb 1.20 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.70 3h3i h ASP 143 CO 0.56 0.05 0.00 -0.90 -1.03 0.00 0.00 179.24 177.92 3h3i n ASP 144 N -3.49 2.80 -4.53 4.15 5.75 -1.26 -4.78 116.55 115.18 3h3i n ASP 144 Ca -0.02 -2.12 -0.43 0.00 -0.01 0.00 0.00 54.79 52.21 3h3i n ASP 144 Cb 0.16 -0.38 -0.05 0.00 -1.03 0.00 0.00 41.12 39.83 3h3i n ASP 144 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3h3i s ASP 145 N -0.89 6.39 0.53 -1.12 2.15 -0.44 -4.90 116.67 118.39 3h3i s ASP 145 Ca 0.32 -0.20 0.34 0.00 0.43 0.00 0.00 52.55 53.44 3h3i s ASP 145 Cb 0.18 -2.39 1.46 0.00 -0.30 0.00 0.00 42.92 41.87 3h3i s ASP 145 CO 0.19 -0.99 2.00 -0.33 -0.17 0.00 0.00 175.17 175.86 3h3i h GLU 146 N 9.06 0.00 0.00 4.34 5.08 -1.87 -1.07 114.58 130.11 3h3i h GLU 146 Ca -0.25 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.11 3h3i h GLU 146 Cb 1.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.33 3h3i h GLU 146 CO 0.99 0.00 -0.11 -0.25 -1.00 0.00 0.00 179.01 178.64 3h3i n ASP 147 N -2.97 0.38 -4.01 1.42 8.00 -1.26 -4.96 116.55 113.16 3h3i n ASP 147 Ca 0.00 0.41 -0.31 0.00 0.71 0.00 0.00 54.79 55.60 3h3i n ASP 147 Cb 0.26 -0.45 0.00 0.00 -0.02 0.00 0.00 41.12 40.91 3h3i n ASP 147 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3h3i n GLY 148 N 1.42 -0.43 3.91 0.44 0.00 -0.41 -4.96 105.19 105.16 3h3i n GLY 148 Ca 0.06 0.16 -0.27 0.00 0.00 0.00 0.00 46.02 45.97 3h3i n GLY 148 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3h3i s LEU 149 N -7.20 3.31 -0.24 0.99 1.43 -1.26 -5.06 118.68 110.64 3h3i s LEU 149 Ca 0.57 0.85 -0.06 0.00 -1.03 0.00 0.00 54.13 54.45 3h3i s LEU 149 Cb -0.30 -3.72 -0.02 0.00 0.03 0.00 0.00 46.19 42.18 3h3i s LEU 149 CO 0.87 -0.95 0.04 -0.89 0.23 0.00 0.00 176.35 175.65 3h3i s THR 150 N -2.97 4.05 0.05 5.49 2.01 -1.26 -4.54 115.64 118.47 3h3i s THR 150 Ca 0.53 -0.28 -0.08 0.00 0.31 0.00 0.00 61.69 62.17 3h3i s THR 150 Cb -0.11 -2.89 -0.05 0.00 0.01 0.00 0.00 72.50 69.46 3h3i s THR 150 CO 0.46 0.35 0.34 -0.31 -0.69 0.00 0.00 174.62 174.76 3h3i s TYR 151 N 1.57 3.57 -0.29 4.92 1.51 0.13 -1.53 117.35 127.23 3h3i s TYR 151 Ca 0.06 0.66 -0.04 0.00 -1.01 0.00 0.00 57.07 56.74 3h3i s TYR 151 Cb -0.15 -2.06 0.03 0.00 -0.11 0.00 0.00 41.96 39.67 3h3i s TYR 151 CO 0.02 0.55 0.01 0.21 -1.11 0.00 0.00 175.55 175.24 3h3i s LYS 152 N -1.92 2.72 -0.22 -0.62 2.20 0.14 -1.11 119.74 120.93 3h3i s LYS 152 Ca 0.31 -1.08 -0.11 0.00 -0.36 0.00 0.00 55.97 54.74 3h3i s LYS 152 Cb -0.13 -3.21 -0.05 0.00 -1.51 0.00 0.00 37.83 32.93 3h3i s LYS 152 CO 0.18 -0.52 0.16 0.08 -0.36 0.00 0.00 175.35 174.88 3h3i s VAL 153 N 1.35 5.38 -0.03 4.02 1.01 -0.06 -0.82 120.40 131.24 3h3i s VAL 153 Ca -0.01 0.21 -0.04 0.00 0.00 0.00 0.00 61.98 62.14 3h3i s VAL 153 Cb -0.18 -3.50 0.01 0.00 0.00 0.00 0.00 36.38 32.71 3h3i s VAL 153 CO -0.01 0.39 0.10 -0.55 0.00 0.00 0.00 175.10 175.03 3h3i s SER 154 N 0.74 -0.06 0.00 3.32 0.15 -0.87 -1.27 113.70 115.70 3h3i s SER 154 Ca 0.08 0.10 0.00 0.00 0.70 0.00 0.00 55.95 56.83 3h3i s SER 154 Cb -0.12 0.21 0.00 0.00 -1.71 0.00 0.00 66.02 64.39 3h3i s SER 154 CO 0.02 -0.10 0.00 0.61 1.20 0.00 0.00 173.24 174.96 3h3i n GLY 155 N 2.69 0.78 3.19 9.45 0.00 -0.30 -1.10 105.19 119.91 3h3i n GLY 155 Ca -0.15 -0.66 -0.12 0.00 0.00 0.00 0.00 46.02 45.10 3h3i n GLY 155 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3h3i s PHE 156 N -2.18 1.03 -0.11 1.61 -0.71 -0.63 -1.32 117.98 115.67 3h3i s PHE 156 Ca 0.00 -1.14 -0.30 0.00 -1.04 0.00 0.00 56.93 54.46 3h3i s PHE 156 Cb 0.00 -0.59 -0.02 0.00 -1.21 0.00 0.00 43.02 41.20 3h3i s PHE 156 CO 0.00 -0.38 1.23 0.50 -1.34 0.00 0.00 175.22 175.23 3h3i s ARG 157 N -3.99 4.29 0.14 1.99 3.52 -0.13 -1.25 118.95 123.52 3h3i s ARG 157 Ca 0.24 1.67 -0.34 0.00 -0.13 0.00 0.00 55.73 57.16 3h3i s ARG 157 Cb 0.07 -3.66 -0.14 0.00 -1.56 0.00 0.00 34.95 29.66 3h3i s ARG 157 CO 0.03 -0.57 1.55 -2.13 -0.81 0.00 0.00 175.30 173.37 3h3i n ARG 158 N 5.87 2.00 0.04 5.12 0.63 0.74 -4.80 116.66 126.26 3h3i n ARG 158 Ca 0.12 0.72 -0.02 0.00 -0.92 0.00 0.00 57.85 57.76 3h3i n ARG 158 Cb 0.46 -2.47 -0.08 0.00 0.45 0.00 0.00 32.46 30.81 3h3i n ARG 158 CO 0.00 0.00 0.00 1.79 -2.51 0.00 0.00 177.63 176.91 3h3i h THR 159 N 3.64 0.70 0.00 5.15 1.35 -1.89 -3.47 112.91 118.38 3h3i h THR 159 Ca -0.45 -2.26 0.00 0.00 -0.55 0.00 0.00 66.41 63.14 3h3i h THR 159 Cb 1.27 2.22 0.00 0.00 -1.73 0.00 0.00 68.15 69.90 3h3i h THR 159 CO 0.87 0.40 0.00 0.61 -0.25 0.00 0.00 175.52 177.15 3h3i n GLY 160 N 1.40 0.64 3.72 5.82 0.00 -1.26 -5.05 105.19 110.45 3h3i n GLY 160 Ca -0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.53 3h3i n GLY 160 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3h3i s PHE 161 N -2.25 3.64 0.50 1.61 0.08 -1.26 -4.95 117.98 115.36 3h3i s PHE 161 Ca 0.00 1.48 0.19 0.00 0.12 0.00 0.00 56.93 58.72 3h3i s PHE 161 Cb 0.00 -2.94 1.26 0.00 -0.57 0.00 0.00 43.02 40.77 3h3i s PHE 161 CO 0.00 0.08 2.05 -1.00 -0.10 0.00 0.00 175.22 176.25 3h3i h PRO 162 N 6.59 0.10 0.00 0.24 0.13 -1.96 0.10 132.00 137.20 3h3i h PRO 162 Ca -0.41 -0.01 -0.00 0.00 -0.87 0.00 0.00 66.00 64.71 3h3i h PRO 162 Cb 1.21 -0.02 -0.00 0.00 0.13 0.00 0.00 31.00 32.31 3h3i h PRO 162 CO 0.74 0.07 -0.01 0.00 -0.23 0.00 0.00 178.00 178.58 3h3i h ALA 163 N 1.82 1.02 -0.36 -0.56 0.00 -2.03 -2.21 119.26 116.96 3h3i h ALA 163 Ca 0.16 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3h3i h ALA 163 Cb 0.52 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.31 3h3i h ALA 163 CO -0.02 0.01 0.00 -0.25 0.00 0.00 0.00 179.25 178.99 3h3i n ASP 164 N -3.12 3.30 -4.95 0.00 8.00 0.35 -4.64 116.55 115.48 3h3i n ASP 164 Ca -0.02 -1.97 -0.23 0.00 0.71 0.00 0.00 54.79 53.28 3h3i n ASP 164 Cb 0.15 -0.23 -0.02 0.00 -0.02 0.00 0.00 41.12 41.01 3h3i n ASP 164 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 3h3i s ASP 165 N -1.52 6.31 0.00 -2.24 1.01 -0.83 -4.83 116.67 114.57 3h3i s ASP 165 Ca 0.38 0.28 0.00 0.00 0.71 0.00 0.00 52.55 53.92 3h3i s ASP 165 Cb 0.22 -1.95 0.00 0.00 1.01 0.00 0.00 42.92 42.20 3h3i s ASP 165 CO 0.31 -0.18 0.47 0.49 0.21 0.00 0.00 175.17 176.47