#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1r n GLN 2 N 0.00 0.47 -1.44 2.12 6.02 -1.26 -2.75 117.38 120.54 3i1r n GLN 2 Ca 0.00 0.40 0.00 0.00 -0.01 0.00 0.00 57.00 57.39 3i1r n GLN 2 Cb 0.00 -1.57 0.00 0.00 1.02 0.00 0.00 30.24 29.69 3i1r n GLN 2 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.06 177.38 3i1r n VAL 3 N -4.50 -3.10 -4.29 5.09 0.24 -1.26 -3.69 118.33 106.82 3i1r n VAL 3 Ca -0.10 1.50 -0.27 0.00 -2.04 0.00 0.00 64.34 63.43 3i1r n VAL 3 Cb 0.36 -2.37 -0.09 0.00 -1.47 0.00 0.00 33.84 30.26 3i1r n VAL 3 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 3i1r s ILE 4 N -4.93 3.16 0.44 1.34 1.01 -0.05 -3.24 121.20 118.94 3i1r s ILE 4 Ca 0.00 -1.66 -0.01 0.00 0.00 0.00 0.00 60.65 58.98 3i1r s ILE 4 Cb 0.00 -2.56 -0.02 0.00 0.01 0.00 0.00 42.46 39.89 3i1r s ILE 4 CO 0.00 -0.10 0.68 -0.76 0.00 0.00 0.00 174.94 174.75 3i1r s LEU 5 N -2.80 3.72 0.00 2.97 1.43 -1.20 -1.48 118.68 121.32 3i1r s LEU 5 Ca 0.25 0.51 0.00 0.00 -1.03 0.00 0.00 54.13 53.86 3i1r s LEU 5 Cb -0.09 -3.40 0.00 0.00 0.03 0.00 0.00 46.19 42.73 3i1r s LEU 5 CO 0.15 -0.58 0.00 0.18 0.23 0.00 0.00 176.35 176.33 3i1r n LEU 6 N -2.07 0.00 0.00 1.79 4.32 0.65 -3.67 117.00 118.02 3i1r n LEU 6 Ca -0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 3i1r n LEU 6 Cb 0.57 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.37 3i1r n LEU 6 CO 0.50 0.00 0.00 0.47 -1.22 0.00 0.00 177.39 177.14 3i1r n ASP 7 N -0.69 -0.58 0.00 -1.43 8.00 -1.26 -3.87 116.55 116.72 3i1r n ASP 7 Ca 0.00 -0.24 0.00 0.00 0.71 0.00 0.00 54.79 55.26 3i1r n ASP 7 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 3i1r n ASP 7 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 3i1r n LYS 8 N -0.82 0.00 0.00 -1.24 3.00 -1.26 -2.67 118.16 115.17 3i1r n LYS 8 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 3i1r n LYS 8 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 3i1r n LYS 8 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 3i1r n VAL 9 N 0.00 0.00 0.00 3.15 0.31 -1.26 -2.88 118.33 117.65 3i1r n VAL 9 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3i1r n VAL 9 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 3i1r n VAL 9 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3i1r n ALA 10 N 0.91 0.00 0.76 3.52 0.00 -1.26 0.19 120.51 124.63 3i1r n ALA 10 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3i1r n ALA 10 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3i1r n ALA 10 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3i1r n ASN 11 N 0.00 0.40 0.00 0.00 4.13 -1.26 -3.41 115.26 115.13 3i1r n ASN 11 Ca 0.00 -1.17 0.00 0.00 1.68 0.00 0.00 54.58 55.09 3i1r n ASN 11 Cb 0.00 -0.20 0.00 0.00 -1.54 0.00 0.00 39.78 38.04 3i1r n ASN 11 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3i1r n LEU 12 N -0.01 0.00 -3.90 3.41 -0.00 -1.10 -5.14 117.00 110.26 3i1r n LEU 12 Ca 0.00 0.00 -0.36 0.00 -0.00 0.00 0.00 56.01 55.65 3i1r n LEU 12 Cb 0.10 0.00 0.01 0.00 -0.00 0.00 0.00 43.42 43.53 3i1r n LEU 12 CO 0.00 0.00 -0.69 0.61 -0.00 0.00 0.00 177.39 177.31 3i1r n GLY 13 N 0.48 -3.18 0.00 1.47 0.00 0.50 -4.96 105.19 99.50 3i1r n GLY 13 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.77 3i1r n GLY 13 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3i1r n SER 14 N 2.46 0.00 0.00 1.61 3.41 -1.14 -4.70 113.62 115.26 3i1r n SER 14 Ca 0.06 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.67 3i1r n SER 14 Cb 0.45 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.40 3i1r n SER 14 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3i1r n LEU 15 N 0.00 0.34 0.00 1.04 7.99 -1.09 -2.27 117.00 123.01 3i1r n LEU 15 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.00 3i1r n LEU 15 Cb 0.00 -0.70 0.00 0.00 -0.11 0.00 0.00 43.42 42.61 3i1r n LEU 15 CO 0.00 -0.22 0.00 0.61 -1.51 0.00 0.00 177.39 176.27 3i1r n GLY 16 N 0.08 0.00 3.62 -0.72 0.00 -1.24 -4.64 105.19 102.29 3i1r n GLY 16 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 3i1r n GLY 16 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3i1r s ASP 17 N 0.00 1.31 -0.52 1.61 1.11 -0.96 -4.60 116.67 114.62 3i1r s ASP 17 Ca 0.00 0.72 -0.11 0.00 0.18 0.00 0.00 52.55 53.34 3i1r s ASP 17 Cb 0.00 -1.04 0.13 0.00 1.07 0.00 0.00 42.92 43.08 3i1r s ASP 17 CO 0.00 -3.89 0.41 -1.58 1.18 0.00 0.00 175.17 171.29 3i1r s GLN 18 N -5.34 2.67 0.42 8.23 2.00 -1.26 -3.21 119.66 123.17 3i1r s GLN 18 Ca 0.70 -1.85 0.08 0.00 -2.00 0.00 0.00 55.36 52.29 3i1r s GLN 18 Cb -0.11 -4.03 0.00 0.00 0.80 0.00 0.00 33.01 29.67 3i1r s GLN 18 CO 0.56 -1.23 0.54 0.14 -0.50 0.00 0.00 175.29 174.80 3i1r s VAL 19 N 1.24 2.93 -0.29 1.34 -7.23 -1.20 -5.08 120.40 112.11 3i1r s VAL 19 Ca 0.07 -1.07 -0.04 0.00 -1.81 0.00 0.00 61.98 59.13 3i1r s VAL 19 Cb -0.26 -2.99 0.10 0.00 0.56 0.00 0.00 36.38 33.79 3i1r s VAL 19 CO -0.01 0.00 0.13 0.21 -0.31 0.00 0.00 175.10 175.13 3i1r s ASN 20 N -4.31 3.52 0.20 4.85 3.04 -1.24 -4.03 114.94 116.97 3i1r s ASN 20 Ca 0.54 -1.33 0.10 0.00 0.04 0.00 0.00 52.86 52.21 3i1r s ASN 20 Cb -0.09 -0.36 -0.04 0.00 -1.54 0.00 0.00 41.25 39.22 3i1r s ASN 20 CO 0.32 -0.43 -0.15 0.54 -3.04 0.00 0.00 177.10 174.34 3i1r s VAL 21 N 2.05 2.86 0.42 -5.21 0.11 -1.11 -4.99 120.40 114.53 3i1r s VAL 21 Ca 0.09 -1.88 -0.25 0.00 -2.93 0.00 0.00 61.98 57.02 3i1r s VAL 21 Cb -0.16 -2.42 -0.10 0.00 -1.53 0.00 0.00 36.38 32.16 3i1r s VAL 21 CO -0.35 -0.16 1.10 0.29 -3.33 0.00 0.00 175.10 172.64 3i1r n LYS 22 N -0.02 1.53 -0.11 1.54 5.02 -1.26 -4.67 118.16 120.19 3i1r n LYS 22 Ca -0.10 0.55 -0.05 0.00 -2.02 0.00 0.00 58.31 56.68 3i1r n LYS 22 Cb 0.56 -2.15 0.01 0.00 -0.02 0.00 0.00 35.03 33.44 3i1r n LYS 22 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3i1r h ALA 23 N 1.71 0.18 -0.02 7.82 0.00 -1.99 -3.11 119.26 123.85 3i1r h ALA 23 Ca -0.45 0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.60 3i1r h ALA 23 Cb 1.32 0.38 -0.01 0.00 0.00 0.00 0.00 17.79 19.48 3i1r h ALA 23 CO 0.58 -0.50 -0.04 0.78 0.00 0.00 0.00 179.25 180.06 3i1r h GLY 24 N -0.06 -1.70 -0.90 0.00 0.00 -1.90 0.28 103.07 98.78 3i1r h GLY 24 Ca 0.19 0.75 0.32 0.00 0.00 0.00 0.00 47.33 48.59 3i1r h GLY 24 CO -0.43 -0.63 0.56 2.98 0.00 0.00 0.00 176.54 179.02 3i1r n TYR 25 N -2.84 0.56 0.00 5.60 9.36 -1.18 -2.48 117.16 126.18 3i1r n TYR 25 Ca -0.00 0.56 0.00 0.00 3.32 0.00 0.00 57.90 61.78 3i1r n TYR 25 Cb 0.03 -0.97 0.00 0.00 -0.63 0.00 0.00 39.34 37.77 3i1r n TYR 25 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3i1r n ALA 26 N -2.54 0.00 -0.36 2.98 0.00 0.02 -0.80 120.51 119.82 3i1r n ALA 26 Ca 0.28 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.62 3i1r n ALA 26 Cb 1.05 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.48 3i1r n ALA 26 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3i1r n ARG 27 N -0.26 0.95 0.00 0.00 5.12 -0.81 -0.92 116.66 120.75 3i1r n ARG 27 Ca 0.00 -0.83 0.00 0.00 -1.93 0.00 0.00 57.85 55.09 3i1r n ARG 27 Cb 0.00 -2.10 0.00 0.00 -1.16 0.00 0.00 32.46 29.20 3i1r n ARG 27 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 3i1r n ASN 28 N 4.21 0.00 0.00 0.55 4.05 -1.15 -4.90 115.26 118.02 3i1r n ASN 28 Ca 0.20 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.23 3i1r n ASN 28 Cb 0.11 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.12 3i1r n ASN 28 CO 0.00 0.00 0.00 0.33 -3.05 0.00 0.00 177.26 174.54 3i1r n PHE 29 N 0.00 -1.49 0.00 1.20 7.35 -0.10 -5.00 117.46 119.42 3i1r n PHE 29 Ca 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 3i1r n PHE 29 Cb 0.00 0.33 0.00 0.00 0.35 0.00 0.00 39.48 40.16 3i1r n PHE 29 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 3i1r n LEU 30 N -1.99 0.00 0.00 -2.13 4.77 0.02 -3.91 117.00 113.76 3i1r n LEU 30 Ca 0.00 0.54 0.00 0.00 -0.03 0.00 0.00 56.01 56.52 3i1r n LEU 30 Cb 0.00 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.05 3i1r n LEU 30 CO 0.00 -0.04 0.00 1.33 -1.33 0.00 0.00 177.39 177.35 3i1r n VAL 31 N -1.11 0.00 -2.44 4.08 0.24 -1.17 -2.92 118.33 115.00 3i1r n VAL 31 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 3i1r n VAL 31 Cb 0.00 -0.50 0.00 0.00 -1.47 0.00 0.00 33.84 31.87 3i1r n VAL 31 CO 0.00 0.00 0.00 -2.65 -2.14 0.00 0.00 176.83 172.04 3i1r n PRO 32 N -0.79 -0.43 0.00 7.34 -0.02 -1.26 -4.24 135.00 135.60 3i1r n PRO 32 Ca 0.00 -0.21 0.00 0.00 -2.02 0.00 0.00 63.50 61.27 3i1r n PRO 32 Cb 0.00 0.38 0.00 0.00 -0.02 0.00 0.00 33.50 33.86 3i1r n PRO 32 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 3i1r n GLN 33 N -0.56 0.00 -2.86 -0.52 7.27 -1.23 -4.63 117.38 114.85 3i1r n GLN 33 Ca 0.00 0.00 -0.02 0.00 0.07 0.00 0.00 57.00 57.05 3i1r n GLN 33 Cb 0.00 0.00 -0.01 0.00 2.41 0.00 0.00 30.24 32.64 3i1r n GLN 33 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3i1r n GLY 34 N 0.00 -2.85 0.00 1.69 0.00 -1.21 -4.97 105.19 97.86 3i1r n GLY 34 Ca 0.00 0.66 0.00 0.00 0.00 0.00 0.00 46.02 46.68 3i1r n GLY 34 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3i1r n LYS 35 N 1.45 0.00 -1.23 1.61 5.02 -1.15 -4.86 118.16 119.01 3i1r n LYS 35 Ca -0.12 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.17 3i1r n LYS 35 Cb 0.29 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.30 3i1r n LYS 35 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3i1r n ALA 36 N 0.00 0.00 -3.63 7.82 0.00 -1.26 -0.25 120.51 123.19 3i1r n ALA 36 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 3i1r n ALA 36 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 3i1r n ALA 36 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3i1r s VAL 37 N -2.67 0.00 0.28 0.00 0.11 -0.55 -4.61 120.40 112.96 3i1r s VAL 37 Ca 0.00 0.00 -0.29 0.00 -2.93 0.00 0.00 61.98 58.76 3i1r s VAL 37 Cb 0.00 -1.00 -0.14 0.00 -1.53 0.00 0.00 36.38 33.71 3i1r s VAL 37 CO 0.00 0.00 1.15 -2.65 -3.33 0.00 0.00 175.10 170.27 3i1r n PRO 38 N 1.96 1.60 -1.03 1.54 -0.02 -1.26 -0.87 135.00 136.93 3i1r n PRO 38 Ca -0.12 0.56 -0.23 0.00 -2.02 0.00 0.00 63.50 61.70 3i1r n PRO 38 Cb 0.56 -2.04 -0.09 0.00 -0.02 0.00 0.00 33.50 31.91 3i1r n PRO 38 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3i1r n ALA 39 N 0.67 6.32 0.40 3.55 0.00 -1.26 -4.66 120.51 125.53 3i1r n ALA 39 Ca 0.09 -2.39 0.00 0.00 0.00 0.00 0.00 53.44 51.15 3i1r n ALA 39 Cb 0.32 -2.80 0.00 0.00 0.00 0.00 0.00 19.45 16.97 3i1r n ALA 39 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3i1r n THR 40 N 3.15 0.00 0.00 0.00 -2.24 -1.26 -4.76 114.28 109.18 3i1r n THR 40 Ca 0.54 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.32 3i1r n THR 40 Cb 0.51 -0.21 0.00 0.00 -2.10 0.00 0.00 70.33 68.52 3i1r n THR 40 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3i1r n LYS 41 N 0.08 0.00 -0.35 -0.78 5.02 -1.26 -4.13 118.16 116.74 3i1r n LYS 41 Ca 0.00 0.00 0.31 0.00 -2.02 0.00 0.00 58.31 56.60 3i1r n LYS 41 Cb 0.05 0.00 0.64 0.00 -0.02 0.00 0.00 35.03 35.70 3i1r n LYS 41 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 3i1r h LYS 42 N 0.00 0.17 0.09 1.97 3.64 -1.96 -1.43 116.57 119.05 3i1r h LYS 42 Ca 0.00 -0.01 -0.32 0.00 -1.27 0.00 0.00 60.65 59.05 3i1r h LYS 42 Cb 0.00 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.76 3i1r h LYS 42 CO 0.00 0.11 -1.73 -0.91 -2.27 0.00 0.00 179.45 174.65 3i1r h ASN 43 N 0.17 0.29 0.00 4.20 -0.26 -1.89 -3.09 115.58 115.00 3i1r h ASN 43 Ca 0.62 -0.53 0.00 0.00 -0.56 0.00 0.00 56.30 55.83 3i1r h ASN 43 Cb 2.04 -0.09 0.00 0.00 -1.06 0.00 0.00 38.32 39.20 3i1r h ASN 43 CO -0.18 1.46 0.00 2.30 -1.06 0.00 0.00 177.43 179.95 3i1r n ILE 44 N -3.35 0.02 -0.03 2.81 -5.35 -0.54 0.40 119.36 113.33 3i1r n ILE 44 Ca -0.21 0.01 -0.04 0.00 -0.27 0.00 0.00 62.75 62.24 3i1r n ILE 44 Cb 1.05 -0.99 -0.03 0.00 -1.74 0.00 0.00 39.64 37.93 3i1r n ILE 44 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 3i1r n GLU 45 N -1.01 0.55 -0.28 6.28 1.02 -1.23 -4.40 120.64 121.58 3i1r n GLU 45 Ca 0.01 0.03 0.26 0.00 -0.02 0.00 0.00 57.16 57.43 3i1r n GLU 45 Cb 0.00 -1.11 0.60 0.00 -0.02 0.00 0.00 31.44 30.91 3i1r n GLU 45 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 3i1r h PHE 46 N 0.00 0.38 -1.36 -0.32 -0.00 0.04 0.34 116.94 116.02 3i1r h PHE 46 Ca -0.12 0.01 -0.61 0.00 -0.00 0.00 0.00 57.97 57.25 3i1r h PHE 46 Cb 1.21 -0.11 -0.39 0.00 -0.00 0.00 0.00 35.95 36.65 3i1r h PHE 46 CO 0.01 0.05 -0.40 1.19 -0.00 0.00 0.00 178.31 179.16 3i1r n PHE 47 N -4.45 3.18 -1.47 0.41 3.72 0.10 -4.21 117.46 114.74 3i1r n PHE 47 Ca 0.23 -2.78 0.00 0.00 -0.05 0.00 0.00 57.45 54.85 3i1r n PHE 47 Cb 0.93 -0.39 0.00 0.00 -0.94 0.00 0.00 39.48 39.08 3i1r n PHE 47 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 176.76 174.80 3i1r n GLU 48 N -0.57 0.00 0.03 -1.08 0.00 0.11 -4.71 120.64 114.41 3i1r n GLU 48 Ca 0.44 -0.04 0.11 0.00 0.00 0.00 0.00 57.16 57.67 3i1r n GLU 48 Cb 0.68 -0.27 -0.05 0.00 0.00 0.00 0.00 31.44 31.81 3i1r n GLU 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3i1r n ALA 49 N 0.00 3.15 0.05 4.31 0.00 -0.58 -3.40 120.51 124.04 3i1r n ALA 49 Ca 0.00 -0.41 -0.16 0.00 0.00 0.00 0.00 53.44 52.87 3i1r n ALA 49 Cb 0.29 -0.92 -0.14 0.00 0.00 0.00 0.00 19.45 18.68 3i1r n ALA 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i1r h ARG 50 N 0.00 0.21 0.00 0.00 -0.00 -1.83 -2.67 114.38 110.09 3i1r h ARG 50 Ca 0.00 -0.36 0.00 0.00 -0.50 0.00 0.00 59.98 59.12 3i1r h ARG 50 Cb 0.84 0.13 0.00 0.00 0.00 0.00 0.00 29.97 30.95 3i1r h ARG 50 CO 0.00 1.04 0.00 0.54 0.00 0.00 0.00 179.97 181.55 3i1r n ARG 51 N -3.40 0.05 0.00 0.04 1.74 -1.22 -2.20 116.66 111.67 3i1r n ARG 51 Ca -0.17 0.13 0.00 0.00 -0.77 0.00 0.00 57.85 57.04 3i1r n ARG 51 Cb 1.04 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.98 3i1r n ARG 51 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3i1r n ALA 52 N -1.14 2.83 -0.98 7.54 0.00 -1.24 -4.37 120.51 123.16 3i1r n ALA 52 Ca 0.01 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.31 3i1r n ALA 52 Cb 0.01 0.50 -0.14 0.00 0.00 0.00 0.00 19.45 19.82 3i1r n ALA 52 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3i1r n GLU 53 N -2.91 2.09 0.00 0.00 2.13 -0.93 -2.48 120.64 118.52 3i1r n GLU 53 Ca 0.00 -1.09 0.00 0.00 0.66 0.00 0.00 57.16 56.73 3i1r n GLU 53 Cb 0.50 -2.07 0.00 0.00 0.27 0.00 0.00 31.44 30.14 3i1r n GLU 53 CO 0.00 0.00 0.00 -0.11 -0.41 0.00 0.00 177.13 176.61 3i1r n LEU 54 N 2.68 0.00 0.00 4.31 -0.00 -1.04 -4.68 117.00 118.27 3i1r n LEU 54 Ca 0.45 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.46 3i1r n LEU 54 Cb 0.78 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.20 3i1r n LEU 54 CO 0.22 0.00 0.48 -0.62 -0.00 0.00 0.00 177.39 177.48 3i1r n GLU 55 N -0.48 0.00 0.00 1.96 1.02 -1.26 -0.38 120.64 121.51 3i1r n GLU 55 Ca 0.00 0.45 0.00 0.00 -0.02 0.00 0.00 57.16 57.59 3i1r n GLU 55 Cb 0.00 -1.52 0.00 0.00 -0.02 0.00 0.00 31.44 29.90 3i1r n GLU 55 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3i1r n ALA 56 N -1.45 0.93 -0.03 0.62 0.00 -1.18 -4.64 120.51 114.76 3i1r n ALA 56 Ca 0.00 -0.12 -0.04 0.00 0.00 0.00 0.00 53.44 53.28 3i1r n ALA 56 Cb 0.02 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.46 3i1r n ALA 56 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3i1r n LYS 57 N -0.17 0.24 0.00 0.00 3.00 0.21 -4.43 118.16 117.01 3i1r n LYS 57 Ca 0.00 0.09 0.15 0.00 -0.00 0.00 0.00 58.31 58.56 3i1r n LYS 57 Cb 0.09 -0.86 0.88 0.00 0.00 0.00 0.00 35.03 35.13 3i1r n LYS 57 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 3i1r n LEU 58 N -3.60 0.00 -0.43 3.14 4.77 0.49 -0.93 117.00 120.45 3i1r n LEU 58 Ca -0.06 0.07 0.12 0.00 -0.03 0.00 0.00 56.01 56.11 3i1r n LEU 58 Cb 0.23 -0.07 0.26 0.00 -2.33 0.00 0.00 43.42 41.51 3i1r n LEU 58 CO 0.09 -0.00 0.58 0.00 -1.33 0.00 0.00 177.39 176.73 3i1r n ALA 59 N -1.07 3.09 -0.02 -1.18 0.00 -0.87 -3.99 120.51 116.46 3i1r n ALA 59 Ca 0.21 -0.51 -0.02 0.00 0.00 0.00 0.00 53.44 53.12 3i1r n ALA 59 Cb 0.14 -1.00 -0.04 0.00 0.00 0.00 0.00 19.45 18.54 3i1r n ALA 59 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3i1r n GLU 60 N -0.13 2.69 0.28 0.00 2.13 -0.77 -4.42 120.64 120.42 3i1r n GLU 60 Ca 0.13 -0.01 0.19 0.00 0.66 0.00 0.00 57.16 58.12 3i1r n GLU 60 Cb 0.41 -1.14 0.99 0.00 0.27 0.00 0.00 31.44 31.97 3i1r n GLU 60 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 3i1r h VAL 61 N 0.00 0.00 -0.38 6.31 2.07 -1.17 -0.44 116.25 122.64 3i1r h VAL 61 Ca -0.13 0.00 -0.15 0.00 0.82 0.00 0.00 66.70 67.25 3i1r h VAL 61 Cb 1.18 0.81 -0.01 0.00 -1.52 0.00 0.00 31.29 31.75 3i1r h VAL 61 CO 0.01 0.00 -0.33 0.17 0.02 0.00 0.00 177.57 177.43 3i1r h LEU 62 N 0.00 0.96 -8.12 2.57 8.10 -1.77 -3.38 115.31 113.65 3i1r h LEU 62 Ca 0.00 -0.45 -0.60 0.00 0.11 0.00 0.00 57.88 56.93 3i1r h LEU 62 Cb 0.07 -0.27 -0.11 0.00 -0.44 0.00 0.00 40.66 39.92 3i1r h LEU 62 CO 0.00 1.21 1.36 0.00 -4.11 0.00 0.00 178.44 176.90 3i1r s ALA 63 N -4.44 2.79 0.00 0.17 0.00 -0.17 -4.35 121.76 115.76 3i1r s ALA 63 Ca -0.11 -2.21 0.00 0.00 0.00 0.00 0.00 51.96 49.63 3i1r s ALA 63 Cb 0.11 -4.44 0.00 0.00 0.00 0.00 0.00 23.12 18.79 3i1r s ALA 63 CO 0.87 -3.50 0.00 0.00 0.00 0.00 0.00 175.76 173.13 3i1r n ALA 64 N 8.66 0.00 -3.32 0.00 0.00 -1.26 -4.92 120.51 119.67 3i1r n ALA 64 Ca 0.28 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.47 3i1r n ALA 64 Cb 0.50 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.87 3i1r n ALA 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i1r n ALA 65 N 0.00 2.89 -1.65 0.00 0.00 -1.26 -5.09 120.51 115.40 3i1r n ALA 65 Ca 0.00 -3.68 -0.52 0.00 0.00 0.00 0.00 53.44 49.24 3i1r n ALA 65 Cb 0.00 -0.83 -0.06 0.00 0.00 0.00 0.00 19.45 18.56 3i1r n ALA 65 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3i1r n ASN 66 N 1.61 2.34 0.00 0.00 5.15 -1.26 0.25 115.26 123.35 3i1r n ASN 66 Ca 0.24 1.08 0.00 0.00 -0.60 0.00 0.00 54.58 55.30 3i1r n ASN 66 Cb 0.49 -1.23 0.00 0.00 -0.53 0.00 0.00 39.78 38.50 3i1r n ASN 66 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3i1r n ALA 67 N 4.14 0.00 0.00 5.20 0.00 -1.26 -3.72 120.51 124.87 3i1r n ALA 67 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.65 3i1r n ALA 67 Cb 0.20 -0.66 0.00 0.00 0.00 0.00 0.00 19.45 18.98 3i1r n ALA 67 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3i1r n ARG 68 N -1.83 0.00 -2.16 0.00 0.00 0.14 -4.14 116.66 108.67 3i1r n ARG 68 Ca 0.00 0.00 -0.30 0.00 -0.00 0.00 0.00 57.85 57.55 3i1r n ARG 68 Cb 0.00 -0.43 -0.05 0.00 0.00 0.00 0.00 32.46 31.98 3i1r n ARG 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3i1r s ALA 69 N 0.00 1.99 0.00 5.13 0.00 -1.24 -4.80 121.76 122.84 3i1r s ALA 69 Ca 0.00 -1.98 0.00 0.00 0.00 0.00 0.00 51.96 49.98 3i1r s ALA 69 Cb 0.00 -4.61 0.00 0.00 0.00 0.00 0.00 23.12 18.51 3i1r s ALA 69 CO 0.00 -4.71 0.00 0.39 0.00 0.00 0.00 175.76 171.44 3i1r n GLU 70 N 8.59 0.00 -0.13 0.00 1.02 -1.26 -4.63 120.64 124.22 3i1r n GLU 70 Ca 0.42 0.00 0.03 0.00 -0.02 0.00 0.00 57.16 57.59 3i1r n GLU 70 Cb 0.47 -0.01 0.09 0.00 -0.02 0.00 0.00 31.44 31.98 3i1r n GLU 70 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 3i1r n LYS 71 N -0.02 1.60 -1.10 3.49 2.85 -1.26 -3.65 118.16 120.07 3i1r n LYS 71 Ca 0.00 -0.76 -0.23 0.00 -1.05 0.00 0.00 58.31 56.26 3i1r n LYS 71 Cb 0.00 -1.27 0.13 0.00 -0.65 0.00 0.00 35.03 33.24 3i1r n LYS 71 CO 0.00 0.00 0.00 1.51 -0.05 0.00 0.00 177.40 178.86 3i1r n ILE 72 N 0.12 3.05 1.56 0.58 3.06 -1.26 -4.46 119.36 122.00 3i1r n ILE 72 Ca 0.07 -1.93 0.04 0.00 -2.50 0.00 0.00 62.75 58.43 3i1r n ILE 72 Cb 0.24 -0.75 0.17 0.00 0.54 0.00 0.00 39.64 39.84 3i1r n ILE 72 CO 0.00 0.00 0.00 -0.46 -2.50 0.00 0.00 176.55 173.59 3i1r n ASN 73 N -0.80 0.78 -2.26 9.51 0.23 -1.24 -3.48 115.26 117.99 3i1r n ASN 73 Ca 0.52 -1.88 -0.12 0.00 -0.53 0.00 0.00 54.58 52.56 3i1r n ASN 73 Cb 1.24 -0.09 0.04 0.00 -2.08 0.00 0.00 39.78 38.89 3i1r n ASN 73 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3i1r n ALA 74 N -0.13 3.93 -1.12 -2.53 0.00 -1.26 -5.12 120.51 114.28 3i1r n ALA 74 Ca 0.08 -3.32 0.08 0.00 0.00 0.00 0.00 53.44 50.28 3i1r n ALA 74 Cb 0.14 -0.55 -0.02 0.00 0.00 0.00 0.00 19.45 19.02 3i1r n ALA 74 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3i1r n LEU 75 N -0.65 0.00 -4.22 0.00 4.32 -1.23 -4.92 117.00 110.31 3i1r n LEU 75 Ca 0.27 0.66 -0.21 0.00 -0.02 0.00 0.00 56.01 56.71 3i1r n LEU 75 Cb 0.90 -1.86 -0.12 0.00 -1.62 0.00 0.00 43.42 40.71 3i1r n LEU 75 CO 0.24 -1.97 -0.48 -0.70 -1.22 0.00 0.00 177.39 173.25 3i1r s GLU 76 N -0.97 0.97 0.25 3.23 2.56 -1.26 -4.90 118.70 118.59 3i1r s GLU 76 Ca 0.00 -1.03 -0.31 0.00 0.00 0.00 0.00 54.97 53.64 3i1r s GLU 76 Cb 0.00 -1.09 -0.14 0.00 2.00 0.00 0.00 34.13 34.91 3i1r s GLU 76 CO 0.00 0.25 1.32 2.41 -0.56 0.00 0.00 175.26 178.68 3i1r n THR 77 N 1.25 1.21 -2.96 -1.70 -1.04 -1.26 -4.87 114.28 104.91 3i1r n THR 77 Ca -0.20 -0.30 -0.44 0.00 -2.04 0.00 0.00 64.05 61.06 3i1r n THR 77 Cb 0.54 -1.37 -0.02 0.00 -1.82 0.00 0.00 70.33 67.65 3i1r n THR 77 CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 3i1r s VAL 78 N -0.33 4.81 0.08 12.58 -7.23 -1.26 -4.48 120.40 124.56 3i1r s VAL 78 Ca 0.66 -1.65 -0.31 0.00 -1.81 0.00 0.00 61.98 58.87 3i1r s VAL 78 Cb -0.66 -4.75 -0.18 0.00 0.56 0.00 0.00 36.38 31.35 3i1r s VAL 78 CO 0.53 -1.46 1.65 0.74 -0.31 0.00 0.00 175.10 176.24 3i1r h THR 79 N 5.74 0.46 0.00 5.32 2.02 -1.81 -3.46 112.91 121.18 3i1r h THR 79 Ca 0.15 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.33 3i1r h THR 79 Cb 1.03 0.46 0.00 0.00 -1.74 0.00 0.00 68.15 67.90 3i1r h THR 79 CO 1.08 0.00 0.00 -0.38 0.37 0.00 0.00 175.52 176.59 3i1r n ILE 80 N -5.40 0.00 0.00 3.11 2.08 -1.25 -5.00 119.36 112.90 3i1r n ILE 80 Ca -0.12 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.19 3i1r n ILE 80 Cb 0.30 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.19 3i1r n ILE 80 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3i1r n ALA 81 N -3.00 0.00 -1.88 -1.39 0.00 -1.24 -4.43 120.51 108.56 3i1r n ALA 81 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3i1r n ALA 81 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3i1r n ALA 81 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3i1r n SER 82 N 0.00 0.00 0.00 0.00 3.41 -1.26 -2.36 113.62 113.41 3i1r n SER 82 Ca 0.00 -0.94 0.00 0.00 -0.26 0.00 0.00 58.87 57.67 3i1r n SER 82 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 3i1r n SER 82 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3i1r n LYS 83 N 0.00 0.00 0.00 4.33 4.01 -1.26 -4.84 118.16 120.40 3i1r n LYS 83 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 3i1r n LYS 83 Cb 0.34 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.86 3i1r n LYS 83 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 3i1r n ALA 84 N 0.64 0.00 0.00 7.82 0.00 -1.26 -4.89 120.51 122.82 3i1r n ALA 84 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3i1r n ALA 84 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3i1r n ALA 84 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i1r n GLY 85 N 0.00 -0.03 3.65 0.00 0.00 -1.23 -2.58 105.19 105.00 3i1r n GLY 85 Ca 0.00 -1.18 -0.23 0.00 0.00 0.00 0.00 46.02 44.61 3i1r n GLY 85 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3i1r n ASP 86 N 0.00 0.14 -3.41 1.61 8.00 -1.26 -2.62 116.55 119.01 3i1r n ASP 86 Ca 0.00 -0.84 -0.13 0.00 0.71 0.00 0.00 54.79 54.53 3i1r n ASP 86 Cb 0.00 -1.05 0.00 0.00 -0.02 0.00 0.00 41.12 40.05 3i1r n ASP 86 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3i1r n GLU 87 N -3.24 -0.65 0.00 -1.24 1.02 -1.26 -1.58 120.64 113.69 3i1r n GLU 87 Ca -0.14 -0.05 0.00 0.00 -0.02 0.00 0.00 57.16 56.95 3i1r n GLU 87 Cb 0.42 -0.47 0.00 0.00 -0.02 0.00 0.00 31.44 31.37 3i1r n GLU 87 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3i1r n GLY 88 N -1.12 3.31 0.00 0.62 0.00 -1.08 -5.07 105.19 101.85 3i1r n GLY 88 Ca -0.07 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 45.09 3i1r n GLY 88 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3i1r n LYS 89 N 0.00 2.68 -4.38 1.61 4.81 -0.61 -4.92 118.16 117.34 3i1r n LYS 89 Ca 0.00 0.00 -0.22 0.00 -0.87 0.00 0.00 58.31 57.22 3i1r n LYS 89 Cb 0.00 0.00 -0.11 0.00 0.02 0.00 0.00 35.03 34.94 3i1r n LYS 89 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 3i1r s LEU 90 N 0.00 2.51 0.00 3.14 1.02 -1.26 -3.57 118.68 120.52 3i1r s LEU 90 Ca 0.00 -0.95 0.00 0.00 0.02 0.00 0.00 54.13 53.20 3i1r s LEU 90 Cb 0.00 -0.89 0.00 0.00 0.02 0.00 0.00 46.19 45.32 3i1r s LEU 90 CO 0.00 -0.04 0.00 0.33 0.02 0.00 0.00 176.35 176.66 3i1r n PHE 91 N -0.13 -0.42 -1.88 0.29 -0.00 -1.24 -4.26 117.46 109.83 3i1r n PHE 91 Ca -0.10 0.00 -0.31 0.00 -0.00 0.00 0.00 57.45 57.04 3i1r n PHE 91 Cb 0.59 0.20 0.01 0.00 -0.00 0.00 0.00 39.48 40.28 3i1r n PHE 91 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.76 176.96 3i1r s GLY 92 N -2.79 1.75 0.45 7.13 0.00 -1.07 -4.99 107.32 107.80 3i1r s GLY 92 Ca 0.00 0.03 0.05 0.00 0.00 0.00 0.00 44.72 44.80 3i1r s GLY 92 CO 0.00 0.32 0.05 -1.35 0.00 0.00 0.00 173.10 172.12 3i1r s SER 93 N -3.81 4.08 -0.51 1.64 1.04 -1.26 -4.87 113.70 110.01 3i1r s SER 93 Ca 0.57 -1.41 -0.22 0.00 0.48 0.00 0.00 55.95 55.37 3i1r s SER 93 Cb -0.12 -0.08 0.04 0.00 0.10 0.00 0.00 66.02 65.96 3i1r s SER 93 CO 0.50 -0.63 0.79 -0.63 0.98 0.00 0.00 173.24 174.25 3i1r s ILE 94 N -2.75 4.63 1.04 -1.02 -1.09 -1.26 -5.03 121.20 115.71 3i1r s ILE 94 Ca 0.27 0.06 -0.16 0.00 -2.23 0.00 0.00 60.65 58.59 3i1r s ILE 94 Cb 0.06 -4.39 0.07 0.00 -1.58 0.00 0.00 42.46 36.62 3i1r s ILE 94 CO 0.14 -0.90 0.21 0.61 -1.23 0.00 0.00 174.94 173.77 3i1r n GLY 95 N 5.10 -2.27 0.00 6.18 0.00 -1.26 -4.70 105.19 108.25 3i1r n GLY 95 Ca -0.01 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.24 3i1r n GLY 95 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3i1r n THR 96 N -4.04 0.00 -2.81 2.61 5.66 -1.26 -2.22 114.28 112.22 3i1r n THR 96 Ca 0.04 0.00 -0.10 0.00 -3.05 0.00 0.00 64.05 60.93 3i1r n THR 96 Cb 0.58 -0.48 0.04 0.00 -1.55 0.00 0.00 70.33 68.93 3i1r n THR 96 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 3i1r n ARG 97 N -0.52 0.84 -0.95 1.09 3.00 -1.26 -3.77 116.66 115.09 3i1r n ARG 97 Ca 0.00 -2.00 -0.01 0.00 -0.01 0.00 0.00 57.85 55.83 3i1r n ARG 97 Cb 0.00 -1.35 -0.02 0.00 0.00 0.00 0.00 32.46 31.09 3i1r n ARG 97 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 3i1r n ASP 98 N 1.27 -0.02 -0.15 0.55 2.03 -0.94 -4.76 116.55 114.53 3i1r n ASP 98 Ca 0.10 -1.79 0.08 0.00 0.52 0.00 0.00 54.79 53.70 3i1r n ASP 98 Cb 0.64 -0.03 -0.06 0.00 -0.72 0.00 0.00 41.12 40.94 3i1r n ASP 98 CO 0.00 0.00 0.00 -0.38 -1.92 0.00 0.00 177.20 174.90 3i1r n ILE 99 N 0.15 0.00 0.01 5.18 2.08 -1.26 -4.59 119.36 120.93 3i1r n ILE 99 Ca -0.07 -0.19 -0.18 0.00 0.56 0.00 0.00 62.75 62.88 3i1r n ILE 99 Cb 0.79 1.08 -0.14 0.00 -0.75 0.00 0.00 39.64 40.62 3i1r n ILE 99 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3i1r h ALA 100 N 2.64 -0.06 0.00 -1.39 0.00 -1.88 -3.41 119.26 115.16 3i1r h ALA 100 Ca 0.00 -0.63 0.00 0.00 0.00 0.00 0.00 54.91 54.28 3i1r h ALA 100 Cb 0.47 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.33 3i1r h ALA 100 CO 0.00 0.26 0.00 -0.40 0.00 0.00 0.00 179.25 179.11 3i1r n ASP 101 N -4.28 0.00 0.00 0.00 3.85 -1.26 0.09 116.55 114.95 3i1r n ASP 101 Ca -0.13 0.00 0.00 0.00 -0.71 0.00 0.00 54.79 53.95 3i1r n ASP 101 Cb 0.71 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 40.48 3i1r n ASP 101 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3i1r n ALA 102 N -3.97 -0.01 -0.38 2.12 0.00 -1.00 -3.75 120.51 113.52 3i1r n ALA 102 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.39 3i1r n ALA 102 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 3i1r n ALA 102 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 3i1r n VAL 103 N -0.55 1.16 0.82 0.00 0.24 -0.30 -3.29 118.33 116.42 3i1r n VAL 103 Ca 0.00 -0.59 0.12 0.00 -2.04 0.00 0.00 64.34 61.82 3i1r n VAL 103 Cb 0.00 -1.71 0.27 0.00 -1.47 0.00 0.00 33.84 30.93 3i1r n VAL 103 CO 0.00 0.00 0.00 1.07 -2.14 0.00 0.00 176.83 175.76 3i1r n THR 104 N 2.98 0.28 -1.22 3.34 5.66 0.11 -4.12 114.28 121.31 3i1r n THR 104 Ca 0.17 -0.54 0.00 0.00 -3.05 0.00 0.00 64.05 60.64 3i1r n THR 104 Cb 0.32 0.83 0.00 0.00 -1.55 0.00 0.00 70.33 69.93 3i1r n THR 104 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3i1r n ALA 105 N 0.99 1.25 -1.00 1.79 0.00 -1.26 -4.95 120.51 117.33 3i1r n ALA 105 Ca 0.17 -0.63 0.00 0.00 0.00 0.00 0.00 53.44 52.98 3i1r n ALA 105 Cb 0.50 -0.12 0.00 0.00 0.00 0.00 0.00 19.45 19.83 3i1r n ALA 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i1r n ALA 106 N -0.01 0.00 -1.00 0.00 0.00 -1.26 -4.99 120.51 113.25 3i1r n ALA 106 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3i1r n ALA 106 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.99 3i1r n ALA 106 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i1r n GLY 107 N 3.37 -2.15 3.87 0.00 0.00 -1.26 -4.95 105.19 104.07 3i1r n GLY 107 Ca 0.00 -0.42 -0.36 0.00 0.00 0.00 0.00 46.02 45.24 3i1r n GLY 107 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i1r s VAL 108 N 0.00 5.31 0.03 1.61 1.01 -1.26 -5.06 120.40 122.04 3i1r s VAL 108 Ca 0.00 0.29 -0.30 0.00 0.00 0.00 0.00 61.98 61.97 3i1r s VAL 108 Cb 0.00 -3.55 -0.04 0.00 0.00 0.00 0.00 36.38 32.79 3i1r s VAL 108 CO 0.00 0.47 1.06 -1.61 0.00 0.00 0.00 175.10 175.01 3i1r s GLU 109 N -1.46 4.52 0.00 2.72 2.02 -1.26 -5.01 118.70 120.23 3i1r s GLU 109 Ca 0.24 1.55 0.00 0.00 0.02 0.00 0.00 54.97 56.77 3i1r s GLU 109 Cb -0.13 -3.42 0.00 0.00 0.10 0.00 0.00 34.13 30.68 3i1r s GLU 109 CO 0.12 -0.11 0.00 1.33 0.02 0.00 0.00 175.26 176.62 3i1r n VAL 110 N 3.86 0.00 0.00 2.63 0.24 -1.26 -5.14 118.33 118.65 3i1r n VAL 110 Ca 0.07 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.37 3i1r n VAL 110 Cb 0.49 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.86 3i1r n VAL 110 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3i1r n ALA 111 N -3.00 0.00 -2.91 2.33 0.00 -1.26 -5.06 120.51 110.60 3i1r n ALA 111 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.33 3i1r n ALA 111 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.37 3i1r n ALA 111 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3i1r s LYS 112 N 0.00 0.70 -0.88 0.00 -0.14 -1.26 -4.93 119.74 113.23 3i1r s LYS 112 Ca 0.00 -0.58 0.00 0.00 -1.36 0.00 0.00 55.97 54.04 3i1r s LYS 112 Cb 0.00 0.29 0.28 0.00 -1.68 0.00 0.00 37.83 36.72 3i1r s LYS 112 CO 0.00 -0.20 1.14 -1.13 -0.76 0.00 0.00 175.35 174.40 3i1r n SER 113 N 0.74 5.20 -3.64 2.83 3.41 -1.25 -4.87 113.62 116.03 3i1r n SER 113 Ca -0.19 -3.42 -0.42 0.00 -0.26 0.00 0.00 58.87 54.57 3i1r n SER 113 Cb 0.59 -1.00 -0.04 0.00 -0.26 0.00 0.00 64.21 63.50 3i1r n SER 113 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3i1r n GLU 114 N 1.13 1.91 -1.71 4.33 1.02 -1.26 -4.94 120.64 121.12 3i1r n GLU 114 Ca 0.28 -2.05 -0.42 0.00 -0.02 0.00 0.00 57.16 54.95 3i1r n GLU 114 Cb 0.37 -3.01 -0.01 0.00 -0.02 0.00 0.00 31.44 28.77 3i1r n GLU 114 CO 0.00 0.00 0.00 1.33 1.18 0.00 0.00 177.13 179.64 3i1r n VAL 115 N 5.68 1.90 -0.02 2.62 0.24 -1.26 -4.51 118.33 122.99 3i1r n VAL 115 Ca 0.50 -0.47 -0.02 0.00 -2.04 0.00 0.00 64.34 62.31 3i1r n VAL 115 Cb 0.39 -1.66 -0.02 0.00 -1.47 0.00 0.00 33.84 31.08 3i1r n VAL 115 CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55 3i1r n ARG 116 N 0.69 2.62 -3.50 7.34 0.63 -1.26 -4.91 116.66 118.26 3i1r n ARG 116 Ca 0.05 0.00 -0.42 0.00 -0.92 0.00 0.00 57.85 56.56 3i1r n ARG 116 Cb 0.36 -1.08 -0.06 0.00 0.45 0.00 0.00 32.46 32.14 3i1r n ARG 116 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 3i1r s LEU 117 N -4.48 6.05 0.00 6.15 1.43 -1.26 -4.96 118.68 121.61 3i1r s LEU 117 Ca -0.02 -2.68 -0.01 0.00 -1.03 0.00 0.00 54.13 50.39 3i1r s LEU 117 Cb 0.01 -2.05 -0.03 0.00 0.03 0.00 0.00 46.19 44.15 3i1r s LEU 117 CO 0.11 -0.51 0.96 -0.81 0.23 0.00 0.00 176.35 176.34 3i1r n PRO 118 N 3.88 0.45 -4.07 1.29 -0.04 -1.26 -4.70 135.00 130.55 3i1r n PRO 118 Ca 0.09 -0.11 -0.28 0.00 -0.04 0.00 0.00 63.50 63.16 3i1r n PRO 118 Cb 0.43 -1.44 -0.02 0.00 -0.04 0.00 0.00 33.50 32.43 3i1r n PRO 118 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 3i1r n ASN 119 N 2.15 2.94 -0.57 3.54 5.15 -1.26 -4.99 115.26 122.22 3i1r n ASN 119 Ca 0.05 -2.99 0.00 0.00 -0.60 0.00 0.00 54.58 51.04 3i1r n ASN 119 Cb 0.22 0.07 0.00 0.00 -0.53 0.00 0.00 39.78 39.53 3i1r n ASN 119 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3i1r n GLY 120 N -1.49 1.31 3.01 8.20 0.00 -1.26 -4.92 105.19 110.04 3i1r n GLY 120 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 3i1r n GLY 120 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3i1r n VAL 121 N 0.15 -1.19 -1.43 1.61 0.24 -1.26 -4.74 118.33 111.71 3i1r n VAL 121 Ca 0.00 0.11 -0.51 0.00 -2.04 0.00 0.00 64.34 61.90 3i1r n VAL 121 Cb 0.24 -2.54 -0.04 0.00 -1.47 0.00 0.00 33.84 30.03 3i1r n VAL 121 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 3i1r n LEU 122 N 2.21 -0.80 -4.14 1.34 4.32 -1.26 -4.92 117.00 113.75 3i1r n LEU 122 Ca 0.00 1.14 -0.38 0.00 -0.02 0.00 0.00 56.01 56.75 3i1r n LEU 122 Cb 0.11 -0.95 -0.07 0.00 -1.62 0.00 0.00 43.42 40.89 3i1r n LEU 122 CO 0.00 -2.63 0.25 -0.13 -1.22 0.00 0.00 177.39 173.66 3i1r s ARG 123 N -0.72 3.08 0.00 3.23 0.52 -1.26 -5.00 118.95 118.79 3i1r s ARG 123 Ca 0.71 -2.90 0.00 0.00 -0.52 0.00 0.00 55.73 53.02 3i1r s ARG 123 Cb -1.02 -3.94 0.00 0.00 0.52 0.00 0.00 34.95 30.51 3i1r s ARG 123 CO 0.56 -1.23 0.00 0.25 0.02 0.00 0.00 175.30 174.90 3i1r n THR 124 N 2.96 0.00 -0.02 0.02 -2.24 -1.26 -4.42 114.28 109.32 3i1r n THR 124 Ca 0.15 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.93 3i1r n THR 124 Cb 0.38 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.61 3i1r n THR 124 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57 3i1r n THR 125 N 0.00 -0.04 0.00 4.28 5.66 -1.26 -4.82 114.28 118.10 3i1r n THR 125 Ca 0.00 0.95 0.00 0.00 -3.05 0.00 0.00 64.05 61.95 3i1r n THR 125 Cb 0.00 -1.25 0.00 0.00 -1.55 0.00 0.00 70.33 67.53 3i1r n THR 125 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3i1r n GLY 126 N -1.01 0.98 3.68 1.09 0.00 -1.26 -5.03 105.19 103.63 3i1r n GLY 126 Ca 0.00 -0.06 -0.42 0.00 0.00 0.00 0.00 46.02 45.54 3i1r n GLY 126 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3i1r s GLU 127 N 0.00 4.21 0.02 1.61 -1.05 -1.23 -4.74 118.70 117.51 3i1r s GLU 127 Ca 0.00 2.20 -0.07 0.00 -0.15 0.00 0.00 54.97 56.95 3i1r s GLU 127 Cb 0.00 -3.75 -0.00 0.00 -0.44 0.00 0.00 34.13 29.94 3i1r s GLU 127 CO 0.00 -0.75 0.14 -1.01 0.95 0.00 0.00 175.26 174.59 3i1r s HIS 128 N 3.15 0.09 -0.44 4.83 3.76 -1.26 -4.92 115.29 120.50 3i1r s HIS 128 Ca 0.72 -0.28 0.02 0.00 -0.15 0.00 0.00 55.06 55.37 3i1r s HIS 128 Cb -0.36 -0.07 0.14 0.00 1.11 0.00 0.00 32.58 33.40 3i1r s HIS 128 CO 0.30 -0.34 0.25 -1.21 -0.85 0.00 0.00 174.74 172.89 3i1r s GLU 129 N -2.02 1.28 0.00 1.40 2.02 -1.26 -4.62 118.70 115.50 3i1r s GLU 129 Ca -0.10 -2.03 0.00 0.00 0.02 0.00 0.00 54.97 52.86 3i1r s GLU 129 Cb -0.04 -2.28 0.00 0.00 0.10 0.00 0.00 34.13 31.91 3i1r s GLU 129 CO -0.01 -1.18 0.00 1.33 0.02 0.00 0.00 175.26 175.42 3i1r n VAL 130 N 3.47 0.00 0.04 2.63 0.24 -1.26 -5.07 118.33 118.38 3i1r n VAL 130 Ca 0.10 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.40 3i1r n VAL 130 Cb 0.35 -0.68 0.00 0.00 -1.47 0.00 0.00 33.84 32.05 3i1r n VAL 130 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 3i1r n SER 131 N -1.10 -0.65 -1.21 -1.34 3.41 -1.26 -4.92 113.62 106.55 3i1r n SER 131 Ca 0.00 0.41 0.11 0.00 -0.26 0.00 0.00 58.87 59.14 3i1r n SER 131 Cb 0.00 0.91 -0.06 0.00 -0.26 0.00 0.00 64.21 64.79 3i1r n SER 131 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 3i1r n PHE 132 N -2.80 -3.28 -2.58 7.33 7.35 -1.26 -3.90 117.46 118.31 3i1r n PHE 132 Ca 0.00 1.81 -0.41 0.00 -0.76 0.00 0.00 57.45 58.09 3i1r n PHE 132 Cb 0.00 -2.95 -0.03 0.00 0.35 0.00 0.00 39.48 36.85 3i1r n PHE 132 CO 0.00 0.00 0.00 -1.14 -0.76 0.00 0.00 176.76 174.86 3i1r s GLN 133 N -4.33 3.32 -0.18 -4.13 2.00 -1.26 -4.74 119.66 110.34 3i1r s GLN 133 Ca 0.00 -0.60 0.18 0.00 -2.00 0.00 0.00 55.36 52.94 3i1r s GLN 133 Cb 0.00 -4.58 -0.26 0.00 0.80 0.00 0.00 33.01 28.98 3i1r s GLN 133 CO 0.00 -2.14 0.13 1.33 -0.50 0.00 0.00 175.29 174.11 3i1r n VAL 134 N 6.48 1.24 -3.88 1.34 0.24 -1.26 -5.06 118.33 117.43 3i1r n VAL 134 Ca 0.13 -0.82 0.00 0.00 -2.04 0.00 0.00 64.34 61.61 3i1r n VAL 134 Cb 0.49 -0.42 0.01 0.00 -1.47 0.00 0.00 33.84 32.45 3i1r n VAL 134 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 3i1r n HIS 135 N -2.70 -0.66 1.37 6.34 -0.00 -1.26 -5.00 115.22 113.31 3i1r n HIS 135 Ca -0.29 -0.68 0.00 0.00 -0.00 0.00 0.00 57.72 56.75 3i1r n HIS 135 Cb 1.09 0.32 0.00 0.00 -0.00 0.00 0.00 29.99 31.40 3i1r n HIS 135 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.34 175.21 3i1r n SER 136 N -0.93 0.53 0.14 0.41 3.41 -1.26 -4.37 113.62 111.55 3i1r n SER 136 Ca 0.01 -1.90 0.00 0.00 -0.26 0.00 0.00 58.87 56.72 3i1r n SER 136 Cb 0.41 -0.27 0.00 0.00 -0.26 0.00 0.00 64.21 64.10 3i1r n SER 136 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 3i1r n GLU 137 N -0.21 0.00 -0.72 4.33 4.07 -1.26 -5.16 120.64 121.69 3i1r n GLU 137 Ca 0.00 0.00 -0.16 0.00 -0.06 0.00 0.00 57.16 56.94 3i1r n GLU 137 Cb 0.13 0.00 0.12 0.00 -0.06 0.00 0.00 31.44 31.64 3i1r n GLU 137 CO 0.00 0.00 0.00 1.33 -0.06 0.00 0.00 177.13 178.40 3i1r n VAL 138 N -3.16 0.00 -1.97 6.31 0.24 -1.26 -5.10 118.33 113.39 3i1r n VAL 138 Ca 0.00 -0.35 0.00 0.00 -2.04 0.00 0.00 64.34 61.95 3i1r n VAL 138 Cb 0.00 -1.35 0.00 0.00 -1.47 0.00 0.00 33.84 31.02 3i1r n VAL 138 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 3i1r n PHE 139 N -3.47 0.00 -3.60 6.34 3.01 -1.26 -4.37 117.46 114.12 3i1r n PHE 139 Ca 0.08 0.00 -0.04 0.00 1.01 0.00 0.00 57.45 58.51 3i1r n PHE 139 Cb 0.31 0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 39.76 3i1r n PHE 139 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3i1r s ALA 140 N -2.00 -2.09 -0.08 4.37 0.00 -1.25 -4.31 121.76 116.40 3i1r s ALA 140 Ca 0.00 1.42 -0.03 0.00 0.00 0.00 0.00 51.96 53.35 3i1r s ALA 140 Cb 0.00 -0.01 0.05 0.00 0.00 0.00 0.00 23.12 23.15 3i1r s ALA 140 CO 0.00 -0.68 0.16 -1.59 0.00 0.00 0.00 175.76 173.66 3i1r s LYS 141 N -2.45 0.04 0.15 0.00 -2.85 -1.26 -4.48 119.74 108.89 3i1r s LYS 141 Ca 0.10 0.56 0.01 0.00 -1.00 0.00 0.00 55.97 55.64 3i1r s LYS 141 Cb -0.00 -0.27 -0.00 0.00 -2.06 0.00 0.00 37.83 35.50 3i1r s LYS 141 CO -0.05 -0.30 0.18 1.33 0.10 0.00 0.00 175.35 176.61 3i1r n VAL 142 N 5.27 0.00 -3.91 1.79 0.24 -1.26 -4.26 118.33 116.20 3i1r n VAL 142 Ca -0.06 -0.94 0.00 0.00 -2.04 0.00 0.00 64.34 61.30 3i1r n VAL 142 Cb 0.50 0.52 0.00 0.00 -1.47 0.00 0.00 33.84 33.39 3i1r n VAL 142 CO 0.00 0.00 0.00 2.30 -2.14 0.00 0.00 176.83 176.99 3i1r n ILE 143 N -0.27 0.00 -3.59 1.34 -6.64 -1.26 -4.52 119.36 104.41 3i1r n ILE 143 Ca 0.02 0.00 -0.19 0.00 -1.77 0.00 0.00 62.75 60.81 3i1r n ILE 143 Cb 0.27 0.00 -0.15 0.00 -1.44 0.00 0.00 39.64 38.32 3i1r n ILE 143 CO 0.00 0.00 0.00 -0.69 -1.77 0.00 0.00 176.55 174.09 3i1r s VAL 144 N -1.16 -0.25 -0.23 7.28 1.01 -1.26 -4.88 120.40 120.91 3i1r s VAL 144 Ca 0.00 0.09 -0.10 0.00 0.00 0.00 0.00 61.98 61.98 3i1r s VAL 144 Cb 0.00 -0.48 -0.05 0.00 0.00 0.00 0.00 36.38 35.85 3i1r s VAL 144 CO 0.00 -0.06 0.13 0.21 0.00 0.00 0.00 175.10 175.39 3i1r s ASN 145 N 2.28 5.94 1.19 3.32 2.47 -1.26 -3.57 114.94 125.30 3i1r s ASN 145 Ca 0.04 0.08 -0.17 0.00 0.42 0.00 0.00 52.86 53.23 3i1r s ASN 145 Cb -0.14 -2.06 0.25 0.00 -1.45 0.00 0.00 41.25 37.85 3i1r s ASN 145 CO -0.09 0.08 0.96 1.33 -3.72 0.00 0.00 177.10 175.66 3i1r n VAL 146 N 4.21 0.00 -4.43 -5.21 0.24 -1.26 -3.72 118.33 108.16 3i1r n VAL 146 Ca -0.15 -0.46 -0.27 0.00 -2.04 0.00 0.00 64.34 61.42 3i1r n VAL 146 Cb 0.52 -1.25 -0.17 0.00 -1.47 0.00 0.00 33.84 31.48 3i1r n VAL 146 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 3i1r s VAL 147 N -2.79 1.31 -1.05 3.34 1.01 -1.26 -4.79 120.40 116.17 3i1r s VAL 147 Ca 0.61 -0.54 -0.09 0.00 0.00 0.00 0.00 61.98 61.96 3i1r s VAL 147 Cb -0.05 -1.21 0.26 0.00 0.00 0.00 0.00 36.38 35.38 3i1r s VAL 147 CO 0.46 0.40 1.03 0.00 0.00 0.00 0.00 175.10 177.00 3i1r s ALA 148 N 0.97 4.60 0.00 5.51 0.00 -1.26 -5.03 121.76 126.56 3i1r s ALA 148 Ca -0.08 -3.76 0.00 0.00 0.00 0.00 0.00 51.96 48.12 3i1r s ALA 148 Cb -0.15 -3.50 0.00 0.00 0.00 0.00 0.00 23.12 19.47 3i1r s ALA 148 CO -0.01 -2.21 0.00 -0.85 0.00 0.00 0.00 175.76 172.70