#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i9d s ARG 12 N 0.00 0.87 0.14 1.97 3.52 -1.26 -5.17 118.95 119.02 3i9d s ARG 12 Ca 0.00 -0.90 0.07 0.00 -0.13 0.00 0.00 55.73 54.78 3i9d s ARG 12 Cb 0.00 0.36 -0.04 0.00 -1.56 0.00 0.00 34.95 33.71 3i9d s ARG 12 CO 0.00 -0.29 -0.16 -0.65 -0.81 0.00 0.00 175.30 173.39 3i9d s GLN 13 N -3.78 1.15 0.03 5.12 1.11 -1.26 -5.05 119.66 116.98 3i9d s GLN 13 Ca 0.04 -1.31 0.02 0.00 0.01 0.00 0.00 55.36 54.11 3i9d s GLN 13 Cb 0.04 -1.13 -0.02 0.00 -1.01 0.00 0.00 33.01 30.89 3i9d s GLN 13 CO -0.11 0.23 -0.06 0.14 0.01 0.00 0.00 175.29 175.49 3i9d s VAL 14 N -2.04 0.42 -0.06 1.09 -7.23 -1.23 -5.06 120.40 106.28 3i9d s VAL 14 Ca 0.12 -1.00 -0.23 0.00 -1.81 0.00 0.00 61.98 59.05 3i9d s VAL 14 Cb -0.06 -0.50 -0.18 0.00 0.56 0.00 0.00 36.38 36.20 3i9d s VAL 14 CO 0.05 -0.40 0.94 0.00 -0.31 0.00 0.00 175.10 175.38 3i9d h ALA 15 N 4.59 -0.12 -2.17 1.32 0.00 -1.89 -3.37 119.26 117.61 3i9d h ALA 15 Ca -0.34 -0.27 -0.47 0.00 0.00 0.00 0.00 54.91 53.83 3i9d h ALA 15 Cb 1.20 0.05 0.02 0.00 0.00 0.00 0.00 17.79 19.06 3i9d h ALA 15 CO 0.41 -0.24 -0.10 0.45 0.00 0.00 0.00 179.25 179.78 3i9d s SER 16 N -5.65 6.07 0.00 0.00 0.15 -1.26 -2.45 113.70 110.56 3i9d s SER 16 Ca -0.14 0.45 0.00 0.00 0.70 0.00 0.00 55.95 56.96 3i9d s SER 16 Cb 0.00 -1.84 0.00 0.00 -1.71 0.00 0.00 66.02 62.47 3i9d s SER 16 CO 0.55 -0.53 0.00 0.61 1.20 0.00 0.00 173.24 175.07 3i9d n GLY 17 N -2.00 2.50 3.42 9.45 0.00 -0.86 -4.50 105.19 113.20 3i9d n GLY 17 Ca -0.01 -0.58 -0.15 0.00 0.00 0.00 0.00 46.02 45.28 3i9d n GLY 17 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3i9d s ARG 18 N 1.42 0.74 0.14 1.61 3.52 0.18 -3.80 118.95 122.76 3i9d s ARG 18 Ca 0.00 0.44 0.09 0.00 -0.13 0.00 0.00 55.73 56.12 3i9d s ARG 18 Cb 0.00 0.35 -0.04 0.00 -1.56 0.00 0.00 34.95 33.70 3i9d s ARG 18 CO 0.00 -0.16 -0.13 0.00 -0.81 0.00 0.00 175.30 174.20 3i9d s ALA 19 N -0.41 2.84 -0.01 6.12 0.00 -1.26 0.46 121.76 129.51 3i9d s ALA 19 Ca -0.05 -1.38 0.01 0.00 0.00 0.00 0.00 51.96 50.53 3i9d s ALA 19 Cb -0.03 -0.73 0.01 0.00 0.00 0.00 0.00 23.12 22.37 3i9d s ALA 19 CO 0.04 0.55 -0.02 0.71 0.00 0.00 0.00 175.76 177.04 3i9d s TYR 20 N -1.39 0.32 -0.14 0.00 1.51 0.39 -2.37 117.35 115.68 3i9d s TYR 20 Ca 0.21 -0.04 0.01 0.00 -1.01 0.00 0.00 57.07 56.25 3i9d s TYR 20 Cb -0.10 -0.29 0.02 0.00 -0.11 0.00 0.00 41.96 41.47 3i9d s TYR 20 CO 0.13 -0.06 -0.17 0.42 -1.11 0.00 0.00 175.55 174.76 3i9d s ILE 21 N 0.38 1.75 -0.43 2.71 1.09 -0.17 -0.40 121.20 126.12 3i9d s ILE 21 Ca -0.04 -0.77 -0.11 0.00 -1.10 0.00 0.00 60.65 58.63 3i9d s ILE 21 Cb -0.07 -1.59 0.07 0.00 -1.06 0.00 0.00 42.46 39.81 3i9d s ILE 21 CO -0.01 0.49 0.30 -2.28 -0.10 0.00 0.00 174.94 173.34 3i9d s HIS 22 N 1.16 3.30 -0.66 3.97 2.46 0.65 0.09 115.29 126.26 3i9d s HIS 22 Ca -0.01 -1.26 -0.18 0.00 0.47 0.00 0.00 55.06 54.08 3i9d s HIS 22 Cb -0.14 -2.97 0.13 0.00 -0.13 0.00 0.00 32.58 29.47 3i9d s HIS 22 CO -0.07 -0.81 0.73 0.00 -2.47 0.00 0.00 174.74 172.13 3i9d s ALA 23 N 1.51 3.54 0.42 1.58 0.00 0.31 -2.22 121.76 126.91 3i9d s ALA 23 Ca 0.03 -2.49 0.08 0.00 0.00 0.00 0.00 51.96 49.58 3i9d s ALA 23 Cb -0.23 -3.55 -0.01 0.00 0.00 0.00 0.00 23.12 19.33 3i9d s ALA 23 CO 0.04 -2.37 0.41 0.45 0.00 0.00 0.00 175.76 174.29 3i9d s SER 24 N 3.41 5.11 0.25 0.00 0.15 -1.20 -0.48 113.70 120.94 3i9d s SER 24 Ca 0.14 -0.73 0.24 0.00 0.70 0.00 0.00 55.95 56.30 3i9d s SER 24 Cb -0.21 -0.53 0.34 0.00 -1.71 0.00 0.00 66.02 63.91 3i9d s SER 24 CO 0.02 -0.70 1.41 1.88 1.20 0.00 0.00 173.24 177.05 3i9d h TYR 25 N 0.95 0.00 0.00 3.44 -1.99 -1.95 -3.36 116.97 114.06 3i9d h TYR 25 Ca -0.41 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.32 3i9d h TYR 25 Cb 1.27 0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.00 3i9d h TYR 25 CO 0.51 0.00 -1.23 -1.71 -0.00 0.00 0.00 178.16 175.74 3i9d n ASN 26 N -2.56 0.94 0.00 3.88 2.85 -1.26 -4.63 115.26 114.49 3i9d n ASN 26 Ca 0.03 -0.48 0.00 0.00 -0.11 0.00 0.00 54.58 54.02 3i9d n ASN 26 Cb 0.49 1.35 0.00 0.00 1.24 0.00 0.00 39.78 42.86 3i9d n ASN 26 CO 0.00 0.00 0.00 -3.20 -2.11 0.00 0.00 177.26 171.95 3i9d n ASN 27 N -1.71 0.00 -4.59 1.20 5.15 -1.26 -3.48 115.26 110.58 3i9d n ASN 27 Ca 0.00 0.00 -0.31 0.00 -0.60 0.00 0.00 54.58 53.67 3i9d n ASN 27 Cb 0.34 0.00 -0.10 0.00 -0.53 0.00 0.00 39.78 39.49 3i9d n ASN 27 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 3i9d s THR 28 N -1.36 3.59 -0.09 -0.44 2.01 -1.19 -3.23 115.64 114.94 3i9d s THR 28 Ca 0.00 -0.89 -0.05 0.00 0.31 0.00 0.00 61.69 61.05 3i9d s THR 28 Cb 0.00 -2.59 0.03 0.00 0.01 0.00 0.00 72.50 69.95 3i9d s THR 28 CO 0.00 0.32 0.21 -0.51 -0.69 0.00 0.00 174.62 173.95 3i9d s ILE 29 N -1.06 -0.03 0.11 1.82 2.07 -0.94 -2.75 121.20 120.43 3i9d s ILE 29 Ca 0.18 0.10 0.08 0.00 -1.41 0.00 0.00 60.65 59.60 3i9d s ILE 29 Cb -0.11 -0.32 -0.04 0.00 0.13 0.00 0.00 42.46 42.12 3i9d s ILE 29 CO 0.09 0.04 -0.14 0.68 -1.91 0.00 0.00 174.94 173.70 3i9d s VAL 30 N 0.81 3.08 -0.16 4.00 -7.23 0.15 -0.25 120.40 120.80 3i9d s VAL 30 Ca -0.06 -1.39 -0.09 0.00 -1.81 0.00 0.00 61.98 58.63 3i9d s VAL 30 Cb -0.07 -2.43 0.06 0.00 0.56 0.00 0.00 36.38 34.50 3i9d s VAL 30 CO -0.05 0.11 0.40 0.28 -0.31 0.00 0.00 175.10 175.53 3i9d s THR 31 N -1.17 -0.03 -0.34 5.32 -1.32 0.46 -0.78 115.64 117.78 3i9d s THR 31 Ca 0.19 0.10 -0.04 0.00 -1.21 0.00 0.00 61.69 60.73 3i9d s THR 31 Cb -0.11 -0.59 0.06 0.00 -1.51 0.00 0.00 72.50 70.35 3i9d s THR 31 CO 0.12 0.04 0.08 0.27 -2.21 0.00 0.00 174.62 172.92 3i9d s ILE 32 N 1.37 3.36 0.45 5.08 -4.36 -0.65 0.15 121.20 126.59 3i9d s ILE 32 Ca -0.09 -1.43 0.02 0.00 -0.26 0.00 0.00 60.65 58.88 3i9d s ILE 32 Cb -0.08 -3.00 0.00 0.00 1.25 0.00 0.00 42.46 40.63 3i9d s ILE 32 CO -0.12 -0.26 0.65 0.42 0.24 0.00 0.00 174.94 175.87 3i9d s THR 33 N 1.29 3.74 1.10 8.37 -4.23 0.17 -1.61 115.64 124.47 3i9d s THR 33 Ca -0.01 -0.63 -0.17 0.00 -1.18 0.00 0.00 61.69 59.70 3i9d s THR 33 Cb -0.20 -3.36 0.24 0.00 1.34 0.00 0.00 72.50 70.52 3i9d s THR 33 CO -0.00 -0.23 1.17 1.51 -0.54 0.00 0.00 174.62 176.52 3i9d s ASP 34 N -4.25 1.83 0.49 3.99 -4.77 -0.65 0.49 116.67 113.79 3i9d s ASP 34 Ca 0.50 0.61 0.32 0.00 -3.30 0.00 0.00 52.55 50.67 3i9d s ASP 34 Cb -0.10 -0.86 1.43 0.00 -1.09 0.00 0.00 42.92 42.31 3i9d s ASP 34 CO 0.37 -3.56 1.76 -0.65 0.70 0.00 0.00 175.17 173.78 3i9d h PRO 35 N -2.20 0.11 0.24 2.11 0.11 -1.81 -1.41 132.00 129.15 3i9d h PRO 35 Ca -0.46 -0.01 -0.34 0.00 0.11 0.00 0.00 66.00 65.30 3i9d h PRO 35 Cb 1.29 -0.03 0.03 0.00 0.11 0.00 0.00 31.00 32.40 3i9d h PRO 35 CO 0.39 0.07 -1.55 -0.44 -0.21 0.00 0.00 178.00 176.27 3i9d h ASP 36 N 0.12 0.79 0.00 -2.05 3.45 -1.96 -3.49 116.42 113.28 3i9d h ASP 36 Ca 0.63 -0.93 0.00 0.00 0.43 0.00 0.00 57.03 57.17 3i9d h ASP 36 Cb 2.22 -0.26 0.00 0.00 -0.56 0.00 0.00 39.33 40.73 3i9d h ASP 36 CO -0.13 1.74 0.00 0.61 -1.57 0.00 0.00 179.24 179.88 3i9d n GLY 37 N 1.76 -0.52 3.62 2.75 0.00 -0.53 -5.11 105.19 107.16 3i9d n GLY 37 Ca -0.19 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.40 3i9d n GLY 37 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3i9d s ASN 38 N -0.01 6.82 0.21 1.61 0.01 -1.26 -4.70 114.94 117.61 3i9d s ASN 38 Ca 0.00 0.84 -0.29 0.00 -0.71 0.00 0.00 52.86 52.70 3i9d s ASN 38 Cb 0.00 -2.52 -0.16 0.00 0.41 0.00 0.00 41.25 38.97 3i9d s ASN 38 CO 0.00 -0.92 0.69 -2.65 -1.51 0.00 0.00 177.10 172.71 3i9d n PRO 39 N 6.97 0.36 -0.10 -0.60 -0.02 -1.26 -1.64 135.00 138.71 3i9d n PRO 39 Ca 0.11 0.13 -0.21 0.00 -2.02 0.00 0.00 63.50 61.50 3i9d n PRO 39 Cb 0.48 -1.26 -0.07 0.00 -0.02 0.00 0.00 33.50 32.63 3i9d n PRO 39 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 3i9d n ILE 40 N 0.20 1.11 -3.49 4.25 2.08 -0.64 -4.79 119.36 118.09 3i9d n ILE 40 Ca 0.16 -0.26 -0.13 0.00 0.56 0.00 0.00 62.75 63.08 3i9d n ILE 40 Cb 0.26 -1.79 -0.04 0.00 -0.75 0.00 0.00 39.64 37.32 3i9d n ILE 40 CO 0.00 0.00 0.00 -0.89 0.56 0.00 0.00 176.55 176.22 3i9d s THR 41 N -2.38 0.00 0.32 1.39 2.01 -1.21 -5.03 115.64 110.75 3i9d s THR 41 Ca -0.28 0.00 0.00 0.00 0.31 0.00 0.00 61.69 61.73 3i9d s THR 41 Cb 0.10 -1.00 -0.01 0.00 0.01 0.00 0.00 72.50 71.60 3i9d s THR 41 CO 0.35 0.00 0.38 -1.66 -0.69 0.00 0.00 174.62 173.00 3i9d s TRP 42 N -2.36 1.27 -0.05 4.92 1.48 -1.26 -1.63 118.94 121.31 3i9d s TRP 42 Ca -0.03 -1.40 -0.31 0.00 -1.06 0.00 0.00 56.10 53.30 3i9d s TRP 42 Cb -0.01 -0.32 0.13 0.00 -1.16 0.00 0.00 33.47 32.11 3i9d s TRP 42 CO -0.02 -1.01 1.30 0.45 -4.06 0.00 0.00 176.95 173.62 3i9d s SER 43 N -3.27 -0.06 0.00 -2.66 0.15 0.04 -4.81 113.70 103.10 3i9d s SER 43 Ca 0.34 -0.10 0.00 0.00 0.70 0.00 0.00 55.95 56.89 3i9d s SER 43 Cb 0.01 0.14 0.00 0.00 -1.71 0.00 0.00 66.02 64.46 3i9d s SER 43 CO 0.22 -0.25 0.00 -1.54 1.20 0.00 0.00 173.24 172.87 3i9d n SER 44 N -0.45 0.00 0.28 5.45 3.41 -1.26 -0.68 113.62 120.38 3i9d n SER 44 Ca -0.08 -0.99 0.18 0.00 -0.26 0.00 0.00 58.87 57.72 3i9d n SER 44 Cb 0.62 0.00 0.77 0.00 -0.26 0.00 0.00 64.21 65.35 3i9d n SER 44 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 3i9d h GLY 45 N 0.00 0.00 1.06 5.00 0.00 -1.79 -2.63 103.07 104.70 3i9d h GLY 45 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 47.33 47.03 3i9d h GLY 45 CO 0.00 0.00 -1.66 -1.33 0.00 0.00 0.00 176.54 173.55 3i9d h GLY 46 N 1.67 0.14 1.54 4.60 0.00 -1.89 -2.48 103.07 106.66 3i9d h GLY 46 Ca 0.00 -0.37 -0.03 0.00 0.00 0.00 0.00 47.33 46.93 3i9d h GLY 46 CO 0.00 0.32 0.13 -2.08 0.00 0.00 0.00 176.54 174.91 3i9d h VAL 47 N 0.03 1.17 0.27 4.60 2.07 -1.76 -2.37 116.25 120.26 3i9d h VAL 47 Ca -0.28 -0.56 -0.00 0.00 0.82 0.00 0.00 66.70 66.67 3i9d h VAL 47 Cb 2.00 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 32.47 3i9d h VAL 47 CO 0.11 0.21 -0.22 0.40 0.02 0.00 0.00 177.57 178.09 3i9d h ILE 48 N 0.58 0.52 0.00 4.57 1.08 -1.58 -3.46 117.51 119.22 3i9d h ILE 48 Ca 0.14 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.61 3i9d h ILE 48 Cb 0.17 0.52 0.00 0.00 -3.07 0.00 0.00 36.82 34.44 3i9d h ILE 48 CO -0.01 0.00 0.00 0.61 -0.69 0.00 0.00 178.15 178.06 3i9d n GLY 49 N -1.35 -0.52 3.94 5.37 0.00 -0.89 -5.14 105.19 106.60 3i9d n GLY 49 Ca -0.09 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.71 3i9d n GLY 49 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3i9d s TYR 50 N 0.00 3.40 -0.08 1.61 4.12 -0.93 -5.02 117.35 120.45 3i9d s TYR 50 Ca 0.00 -0.01 -0.23 0.00 0.02 0.00 0.00 57.07 56.85 3i9d s TYR 50 Cb 0.00 -1.56 0.05 0.00 -1.52 0.00 0.00 41.96 38.93 3i9d s TYR 50 CO 0.00 0.47 0.53 -1.59 0.02 0.00 0.00 175.55 174.98 3i9d s LYS 51 N -3.80 0.84 0.00 -0.62 -2.85 -1.26 -3.76 119.74 108.29 3i9d s LYS 51 Ca 0.34 0.24 0.00 0.00 -1.00 0.00 0.00 55.97 55.55 3i9d s LYS 51 Cb -0.09 0.39 0.00 0.00 -2.06 0.00 0.00 37.83 36.07 3i9d s LYS 51 CO 0.28 -0.22 0.00 0.41 0.10 0.00 0.00 175.35 175.92 3i9d n GLY 52 N 1.48 0.21 0.18 0.59 0.00 -1.26 -4.33 105.19 102.05 3i9d n GLY 52 Ca -0.19 -1.85 0.12 0.00 0.00 0.00 0.00 46.02 44.10 3i9d n GLY 52 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3i9d h SER 53 N 0.00 0.00 0.00 1.61 4.64 -2.00 -3.31 113.55 114.49 3i9d h SER 53 Ca 0.00 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 3i9d h SER 53 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3i9d h SER 53 CO 0.00 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 176.50 3i9d n ARG 54 N -2.90 0.61 0.00 4.77 1.74 -1.26 -2.00 116.66 117.62 3i9d n ARG 54 Ca 0.03 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.11 3i9d n ARG 54 Cb 0.53 -1.20 0.00 0.00 -1.02 0.00 0.00 32.46 30.77 3i9d n ARG 54 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3i9d n LYS 55 N 0.76 4.84 0.07 5.56 5.02 -1.25 -4.55 118.16 128.62 3i9d n LYS 55 Ca 0.00 -0.03 0.12 0.00 -2.02 0.00 0.00 58.31 56.37 3i9d n LYS 55 Cb 0.30 -0.43 0.13 0.00 -0.02 0.00 0.00 35.03 35.01 3i9d n LYS 55 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 3i9d h GLY 56 N 0.00 0.00 -4.52 0.72 0.00 -1.43 -3.16 103.07 94.67 3i9d h GLY 56 Ca 0.00 0.00 -0.63 0.00 0.00 0.00 0.00 47.33 46.70 3i9d h GLY 56 CO 0.00 0.00 -0.29 2.41 0.00 0.00 0.00 176.54 178.66 3i9d n THR 57 N -2.25 1.87 0.33 4.70 -1.04 -1.26 -3.45 114.28 113.18 3i9d n THR 57 Ca 0.03 -0.50 0.14 0.00 -2.04 0.00 0.00 64.05 61.68 3i9d n THR 57 Cb 0.46 -0.48 0.49 0.00 -1.82 0.00 0.00 70.33 68.98 3i9d n THR 57 CO 0.00 0.00 0.00 1.55 -0.64 0.00 0.00 175.07 175.98 3i9d h PRO 58 N 1.25 0.00 -0.24 -2.82 0.13 -1.92 -2.74 132.00 125.66 3i9d h PRO 58 Ca -0.35 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.60 3i9d h PRO 58 Cb 1.40 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.52 3i9d h PRO 58 CO 0.56 0.00 -0.57 -0.92 -0.23 0.00 0.00 178.00 176.85 3i9d h TYR 59 N 0.00 0.95 -0.47 1.56 3.20 -1.92 -2.95 116.97 117.34 3i9d h TYR 59 Ca 0.00 -0.34 -0.04 0.00 3.14 0.00 0.00 58.73 61.49 3i9d h TYR 59 Cb 0.63 -0.18 -0.02 0.00 1.54 0.00 0.00 36.73 38.70 3i9d h TYR 59 CO 0.00 1.14 0.15 0.00 -1.64 0.00 0.00 178.16 177.81 3i9d h ALA 60 N 0.79 0.61 -1.00 1.82 0.00 -1.83 -2.19 119.26 117.45 3i9d h ALA 60 Ca 0.01 -0.18 0.21 0.00 0.00 0.00 0.00 54.91 54.95 3i9d h ALA 60 Cb 1.15 -0.18 -0.11 0.00 0.00 0.00 0.00 17.79 18.65 3i9d h ALA 60 CO 0.12 0.26 0.61 0.00 0.00 0.00 0.00 179.25 180.24 3i9d h ALA 61 N 1.01 1.78 -2.23 0.00 0.00 -1.42 0.21 119.26 118.60 3i9d h ALA 61 Ca 0.15 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.15 3i9d h ALA 61 Cb 0.26 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3i9d h ALA 61 CO -0.01 -0.18 0.00 0.94 0.00 0.00 0.00 179.25 180.00 3i9d n GLN 62 N -4.77 0.00 -0.21 0.00 7.27 -0.86 -1.54 117.38 117.27 3i9d n GLN 62 Ca 0.24 0.13 0.21 0.00 0.07 0.00 0.00 57.00 57.65 3i9d n GLN 62 Cb 0.65 -1.01 0.39 0.00 2.41 0.00 0.00 30.24 32.68 3i9d n GLN 62 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 3i9d n LEU 63 N -0.89 0.23 0.00 1.69 4.77 -1.01 -1.16 117.00 120.63 3i9d n LEU 63 Ca 0.00 1.11 0.00 0.00 -0.03 0.00 0.00 56.01 57.09 3i9d n LEU 63 Cb 0.00 -0.54 0.00 0.00 -2.33 0.00 0.00 43.42 40.55 3i9d n LEU 63 CO 0.00 -1.24 0.28 0.00 -1.33 0.00 0.00 177.39 175.10 3i9d n ALA 64 N -2.52 -0.10 -0.33 -1.18 0.00 0.04 -2.27 120.51 114.16 3i9d n ALA 64 Ca 0.25 0.00 0.20 0.00 0.00 0.00 0.00 53.44 53.89 3i9d n ALA 64 Cb 0.86 0.00 0.38 0.00 0.00 0.00 0.00 19.45 20.68 3i9d n ALA 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i9d n ALA 65 N -0.81 0.66 -0.16 0.00 0.00 -0.31 0.82 120.51 120.70 3i9d n ALA 65 Ca 0.00 1.02 -0.05 0.00 0.00 0.00 0.00 53.44 54.41 3i9d n ALA 65 Cb 0.00 -0.83 0.04 0.00 0.00 0.00 0.00 19.45 18.66 3i9d n ALA 65 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3i9d h LEU 66 N 0.00 0.42 -0.89 0.00 3.38 -1.41 0.19 115.31 117.00 3i9d h LEU 66 Ca 0.66 0.02 -0.12 0.00 0.09 0.00 0.00 57.88 58.53 3i9d h LEU 66 Cb 1.52 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 42.19 3i9d h LEU 66 CO -0.86 0.29 -0.55 -0.78 0.09 0.00 0.00 178.44 176.63 3i9d h ASP 67 N 0.54 0.00 0.23 -0.43 1.82 0.86 0.21 116.42 119.64 3i9d h ASP 67 Ca 0.21 0.00 -0.01 0.00 -0.39 0.00 0.00 57.03 56.84 3i9d h ASP 67 Cb 0.07 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.09 3i9d h ASP 67 CO -0.12 0.55 -0.11 0.00 -1.61 0.00 0.00 179.24 177.95 3i9d h ALA 68 N 1.45 -0.30 -0.29 -0.78 0.00 0.33 -2.49 119.26 117.18 3i9d h ALA 68 Ca -0.01 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.66 3i9d h ALA 68 Cb 0.98 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 3i9d h ALA 68 CO 0.07 -0.52 -0.15 0.00 0.00 0.00 0.00 179.25 178.65 3i9d h ALA 69 N 0.08 1.19 -0.44 0.00 0.00 -0.59 -2.72 119.26 116.78 3i9d h ALA 69 Ca -0.03 -0.29 0.02 0.00 0.00 0.00 0.00 54.91 54.61 3i9d h ALA 69 Cb 0.44 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 3i9d h ALA 69 CO 0.05 0.52 0.26 -0.22 0.00 0.00 0.00 179.25 179.85 3i9d h LYS 70 N 0.46 0.50 0.00 0.00 3.64 -0.52 -0.66 116.57 120.00 3i9d h LYS 70 Ca 0.08 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.41 3i9d h LYS 70 Cb 0.54 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 32.24 3i9d h LYS 70 CO 0.03 0.33 -0.11 0.87 -2.27 0.00 0.00 179.45 178.31 3i9d h LYS 71 N 0.52 0.00 0.12 1.90 1.57 -1.31 -3.08 116.57 116.28 3i9d h LYS 71 Ca 0.18 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.95 3i9d h LYS 71 Cb 0.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.33 3i9d h LYS 71 CO -0.09 0.11 -0.06 0.00 -0.57 0.00 0.00 179.45 178.85 3i9d h ALA 72 N 1.89 -0.16 0.00 3.86 0.00 -0.93 -3.08 119.26 120.85 3i9d h ALA 72 Ca -0.00 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3i9d h ALA 72 Cb 0.57 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.42 3i9d h ALA 72 CO 0.01 -0.28 0.00 -1.33 0.00 0.00 0.00 179.25 177.65 3i9d n MET 73 N -4.90 0.15 0.05 0.00 2.81 -0.37 -0.54 117.12 114.32 3i9d n MET 73 Ca -0.08 0.00 -0.18 0.00 -1.81 0.00 0.00 57.70 55.63 3i9d n MET 73 Cb 0.28 -1.39 -0.14 0.00 -0.71 0.00 0.00 33.22 31.26 3i9d n MET 73 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3i9d h ALA 74 N 2.06 0.32 -0.23 3.04 0.00 -1.53 -3.15 119.26 119.77 3i9d h ALA 74 Ca 0.00 -1.19 -0.01 0.00 0.00 0.00 0.00 54.91 53.71 3i9d h ALA 74 Cb 0.00 0.40 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 3i9d h ALA 74 CO 0.00 1.18 0.01 0.66 0.00 0.00 0.00 179.25 181.10 3i9d n TYR 75 N -3.45 0.84 -2.13 0.00 4.02 0.30 -4.83 117.16 111.92 3i9d n TYR 75 Ca -0.20 -0.32 -0.05 0.00 -0.01 0.00 0.00 57.90 57.32 3i9d n TYR 75 Cb 1.05 -0.28 -0.00 0.00 -0.02 0.00 0.00 39.34 40.09 3i9d n TYR 75 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3i9d n GLY 76 N 0.23 0.18 3.75 2.72 0.00 -1.19 -3.56 105.19 107.32 3i9d n GLY 76 Ca 0.12 -0.66 -0.41 0.00 0.00 0.00 0.00 46.02 45.07 3i9d n GLY 76 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3i9d s MET 77 N -4.31 4.54 0.00 1.61 0.00 -0.79 -4.40 119.30 115.95 3i9d s MET 77 Ca 0.01 1.87 0.00 0.00 0.00 0.00 0.00 55.69 57.56 3i9d s MET 77 Cb -0.00 -3.21 0.00 0.00 0.00 0.00 0.00 34.83 31.61 3i9d s MET 77 CO 0.01 0.02 0.00 1.04 0.00 0.00 0.00 175.02 176.08 3i9d n GLN 78 N 1.93 0.00 -3.02 4.11 6.02 -1.02 -4.24 117.38 121.16 3i9d n GLN 78 Ca 0.02 0.00 -0.31 0.00 -0.01 0.00 0.00 57.00 56.70 3i9d n GLN 78 Cb 0.45 0.00 -0.04 0.00 1.02 0.00 0.00 30.24 31.66 3i9d n GLN 78 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 3i9d s SER 79 N -1.16 6.60 0.24 1.08 1.04 -1.20 -2.70 113.70 117.61 3i9d s SER 79 Ca 0.00 1.13 -0.16 0.00 0.48 0.00 0.00 55.95 57.41 3i9d s SER 79 Cb 0.00 -2.32 0.01 0.00 0.10 0.00 0.00 66.02 63.81 3i9d s SER 79 CO 0.00 -0.30 0.55 0.68 0.98 0.00 0.00 173.24 175.15 3i9d s VAL 80 N -2.18 0.01 -0.46 5.02 -7.23 -1.19 -2.02 120.40 112.34 3i9d s VAL 80 Ca 0.51 -1.17 0.03 0.00 -1.81 0.00 0.00 61.98 59.54 3i9d s VAL 80 Cb -0.10 -2.01 0.16 0.00 0.56 0.00 0.00 36.38 34.98 3i9d s VAL 80 CO 0.26 -0.03 0.32 -1.81 -0.31 0.00 0.00 175.10 173.52 3i9d s ASP 81 N -2.96 2.92 -0.12 4.85 1.11 -1.25 -1.56 116.67 119.66 3i9d s ASP 81 Ca 0.17 -2.95 -0.38 0.00 0.18 0.00 0.00 52.55 49.57 3i9d s ASP 81 Cb -0.02 -0.82 -0.15 0.00 1.07 0.00 0.00 42.92 43.00 3i9d s ASP 81 CO 0.06 -0.20 1.67 0.52 1.18 0.00 0.00 175.17 178.39 3i9d n VAL 82 N 3.07 0.27 -4.30 -1.27 0.31 -1.14 -4.00 118.33 111.28 3i9d n VAL 82 Ca 0.19 -0.05 -0.26 0.00 -0.01 0.00 0.00 64.34 64.21 3i9d n VAL 82 Cb 0.40 -1.28 -0.17 0.00 -0.91 0.00 0.00 33.84 31.88 3i9d n VAL 82 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 3i9d s ILE 83 N 2.74 1.20 0.08 2.52 1.01 -1.00 -0.64 121.20 127.11 3i9d s ILE 83 Ca 0.93 -0.46 0.09 0.00 0.00 0.00 0.00 60.65 61.21 3i9d s ILE 83 Cb -0.94 -1.14 -0.03 0.00 0.01 0.00 0.00 42.46 40.36 3i9d s ILE 83 CO 0.56 0.38 -0.23 0.68 0.00 0.00 0.00 174.94 176.33 3i9d s VAL 84 N 1.13 2.42 -0.06 2.92 -7.23 0.30 -1.00 120.40 118.88 3i9d s VAL 84 Ca -0.05 -1.45 -0.01 0.00 -1.81 0.00 0.00 61.98 58.66 3i9d s VAL 84 Cb -0.14 -2.02 0.03 0.00 0.56 0.00 0.00 36.38 34.80 3i9d s VAL 84 CO -0.02 0.25 0.01 -0.13 -0.31 0.00 0.00 175.10 174.90 3i9d s ARG 85 N -1.62 0.47 0.00 4.82 0.52 0.11 -1.37 118.95 121.89 3i9d s ARG 85 Ca 0.14 0.14 0.00 0.00 -0.52 0.00 0.00 55.73 55.49 3i9d s ARG 85 Cb -0.10 -0.83 0.00 0.00 0.52 0.00 0.00 34.95 34.54 3i9d s ARG 85 CO 0.05 -0.27 0.00 0.41 0.02 0.00 0.00 175.30 175.50 3i9d n GLY 86 N 4.99 1.50 3.13 -3.53 0.00 -1.26 0.11 105.19 110.13 3i9d n GLY 86 Ca -0.10 -2.18 -0.21 0.00 0.00 0.00 0.00 46.02 43.54 3i9d n GLY 86 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3i9d s THR 87 N -1.32 1.11 0.00 2.61 2.01 0.36 -4.75 115.64 115.66 3i9d s THR 87 Ca 0.00 -0.89 0.00 0.00 0.31 0.00 0.00 61.69 61.11 3i9d s THR 87 Cb 0.00 -0.98 0.00 0.00 0.01 0.00 0.00 72.50 71.53 3i9d s THR 87 CO 0.00 0.09 0.00 0.61 -0.69 0.00 0.00 174.62 174.63 3i9d n GLY 88 N 2.13 4.59 0.16 4.40 0.00 -1.26 -3.50 105.19 111.71 3i9d n GLY 88 Ca -0.17 -0.83 0.05 0.00 0.00 0.00 0.00 46.02 45.06 3i9d n GLY 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i9d n ALA 89 N -1.71 0.17 0.02 4.61 0.00 -1.26 0.21 120.51 122.55 3i9d n ALA 89 Ca 0.00 0.49 0.01 0.00 0.00 0.00 0.00 53.44 53.95 3i9d n ALA 89 Cb 0.00 -0.33 0.08 0.00 0.00 0.00 0.00 19.45 19.20 3i9d n ALA 89 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i9d n GLY 90 N -1.26 -0.54 0.00 0.00 0.00 -1.22 -4.26 105.19 97.91 3i9d n GLY 90 Ca 0.09 0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.14 3i9d n GLY 90 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i9d n ARG 91 N -1.59 0.00 -0.05 1.61 5.12 0.55 -2.00 116.66 120.30 3i9d n ARG 91 Ca -0.00 0.00 -0.10 0.00 -1.93 0.00 0.00 57.85 55.81 3i9d n ARG 91 Cb 0.02 -0.40 -0.04 0.00 -1.16 0.00 0.00 32.46 30.88 3i9d n ARG 91 CO 0.00 0.00 0.00 0.93 -1.93 0.00 0.00 177.63 176.63 3i9d h GLU 92 N 0.00 0.27 -0.47 5.56 3.07 -1.83 -2.20 114.58 118.98 3i9d h GLU 92 Ca 0.00 -0.03 0.14 0.00 -0.50 0.00 0.00 59.36 58.96 3i9d h GLU 92 Cb 0.00 -0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 27.84 3i9d h GLU 92 CO 0.00 0.26 0.56 1.96 -1.40 0.00 0.00 179.01 180.40 3i9d h GLN 93 N 0.20 0.00 0.03 2.33 1.08 -1.78 1.28 115.11 118.25 3i9d h GLN 93 Ca 0.07 0.00 -0.20 0.00 -1.45 0.00 0.00 58.65 57.07 3i9d h GLN 93 Cb 0.08 0.00 0.02 0.00 -0.05 0.00 0.00 27.48 27.52 3i9d h GLN 93 CO -0.01 0.00 -0.80 0.00 -0.95 0.00 0.00 178.83 177.07 3i9d h ALA 94 N 1.31 0.06 0.71 3.87 0.00 -0.78 -2.37 119.26 122.07 3i9d h ALA 94 Ca 0.22 -0.64 -0.03 0.00 0.00 0.00 0.00 54.91 54.46 3i9d h ALA 94 Cb 1.35 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.19 3i9d h ALA 94 CO -0.00 0.47 -0.40 0.82 0.00 0.00 0.00 179.25 180.13 3i9d h ILE 95 N 0.02 0.00 0.00 0.00 1.08 0.17 -3.16 117.51 115.62 3i9d h ILE 95 Ca -0.11 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.36 3i9d h ILE 95 Cb 1.51 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 35.26 3i9d h ILE 95 CO 0.16 0.00 0.00 0.54 -0.69 0.00 0.00 178.15 178.16 3i9d n ARG 96 N -4.95 0.00 -0.20 2.37 3.00 0.13 -2.64 116.66 114.37 3i9d n ARG 96 Ca -0.13 0.58 0.15 0.00 -0.01 0.00 0.00 57.85 58.44 3i9d n ARG 96 Cb 0.42 -1.39 0.28 0.00 0.00 0.00 0.00 32.46 31.77 3i9d n ARG 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3i9d n ALA 97 N -2.00 0.48 0.46 7.54 0.00 -0.89 0.72 120.51 126.83 3i9d n ALA 97 Ca 0.00 0.62 -0.20 0.00 0.00 0.00 0.00 53.44 53.86 3i9d n ALA 97 Cb 0.00 -0.55 -0.10 0.00 0.00 0.00 0.00 19.45 18.81 3i9d n ALA 97 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3i9d h LEU 98 N 0.00 -1.16 -0.73 0.00 3.38 -1.46 -2.35 115.31 112.98 3i9d h LEU 98 Ca 0.44 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.47 3i9d h LEU 98 Cb 1.09 0.32 0.00 0.00 0.09 0.00 0.00 40.66 42.16 3i9d h LEU 98 CO -0.50 -0.76 0.17 0.00 0.09 0.00 0.00 178.44 177.44 3i9d n GLN 99 N -5.63 0.07 -1.21 1.13 6.02 0.22 -2.20 117.38 115.79 3i9d n GLN 99 Ca -0.15 0.52 -0.22 0.00 -0.01 0.00 0.00 57.00 57.14 3i9d n GLN 99 Cb 0.50 -1.91 0.15 0.00 1.02 0.00 0.00 30.24 30.01 3i9d n GLN 99 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3i9d n ALA 100 N -1.56 5.42 -2.72 -1.58 0.00 -0.88 -4.63 120.51 114.56 3i9d n ALA 100 Ca -0.01 -3.16 -0.08 0.00 0.00 0.00 0.00 53.44 50.19 3i9d n ALA 100 Cb 0.18 -1.27 0.09 0.00 0.00 0.00 0.00 19.45 18.46 3i9d n ALA 100 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3i9d n SER 101 N -1.06 -2.23 0.00 0.00 3.41 -0.94 -5.03 113.62 107.77 3i9d n SER 101 Ca 0.53 -3.46 0.00 0.00 -0.26 0.00 0.00 58.87 55.68 3i9d n SER 101 Cb 1.23 1.83 0.00 0.00 -0.26 0.00 0.00 64.21 67.02 3i9d n SER 101 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3i9d n GLY 102 N 0.44 1.75 0.00 5.00 0.00 -1.26 -4.97 105.19 106.15 3i9d n GLY 102 Ca 0.05 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.77 3i9d n GLY 102 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3i9d n LEU 103 N 0.00 0.00 -4.55 0.99 7.99 -1.24 -4.70 117.00 115.48 3i9d n LEU 103 Ca 0.00 0.00 -0.38 0.00 -0.01 0.00 0.00 56.01 55.62 3i9d n LEU 103 Cb 0.00 0.00 -0.03 0.00 -0.11 0.00 0.00 43.42 43.28 3i9d n LEU 103 CO 0.00 0.00 1.41 -1.58 -1.51 0.00 0.00 177.39 175.71 3i9d s GLN 104 N 0.00 2.93 -0.96 3.23 0.74 -1.10 -4.61 119.66 119.89 3i9d s GLN 104 Ca 0.00 -0.06 -0.26 0.00 0.05 0.00 0.00 55.36 55.09 3i9d s GLN 104 Cb 0.00 -4.58 -0.15 0.00 1.10 0.00 0.00 33.01 29.38 3i9d s GLN 104 CO 0.00 -2.59 2.18 0.14 -0.55 0.00 0.00 175.29 174.48 3i9d s VAL 105 N 7.62 3.14 -2.00 1.34 -7.23 -1.26 -3.17 120.40 118.84 3i9d s VAL 105 Ca 0.55 -0.18 0.00 0.00 -1.81 0.00 0.00 61.98 60.54 3i9d s VAL 105 Cb -0.08 -3.70 0.01 0.00 0.56 0.00 0.00 36.38 33.17 3i9d s VAL 105 CO 0.11 -0.27 0.20 0.29 -0.31 0.00 0.00 175.10 175.12 3i9d n LYS 106 N 8.52 0.15 0.00 4.82 5.02 -0.60 -4.81 118.16 131.26 3i9d n LYS 106 Ca 0.44 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.73 3i9d n LYS 106 Cb 0.45 -1.04 0.00 0.00 -0.02 0.00 0.00 35.03 34.42 3i9d n LYS 106 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 3i9d n SER 107 N -0.54 0.00 -3.73 4.39 3.41 -1.26 -4.99 113.62 110.89 3i9d n SER 107 Ca 0.00 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.48 3i9d n SER 107 Cb 0.00 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 63.85 3i9d n SER 107 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3i9d s ILE 108 N -1.93 0.00 -0.00 -1.33 1.01 -1.25 -2.90 121.20 114.81 3i9d s ILE 108 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 60.65 60.64 3i9d s ILE 108 Cb 0.00 -0.58 0.00 0.00 0.01 0.00 0.00 42.46 41.89 3i9d s ILE 108 CO 0.00 -0.01 0.00 -0.69 0.00 0.00 0.00 174.94 174.24 3i9d s VAL 109 N 0.16 0.01 -0.79 2.92 1.01 0.19 -4.98 120.40 118.91 3i9d s VAL 109 Ca -0.00 0.01 -0.07 0.00 0.00 0.00 0.00 61.98 61.92 3i9d s VAL 109 Cb -0.03 -0.03 0.20 0.00 0.00 0.00 0.00 36.38 36.53 3i9d s VAL 109 CO 0.01 0.01 0.68 -0.62 0.00 0.00 0.00 175.10 175.18 3i9d s ASP 110 N 0.10 6.06 -0.74 3.32 2.15 -1.26 0.11 116.67 126.40 3i9d s ASP 110 Ca -0.01 -3.06 -0.00 0.00 0.43 0.00 0.00 52.55 49.91 3i9d s ASP 110 Cb -0.01 -2.01 0.37 0.00 -0.30 0.00 0.00 42.92 40.97 3i9d s ASP 110 CO -0.00 -0.38 1.82 -0.67 -0.17 0.00 0.00 175.17 175.76 3i9d n ASP 111 N 3.31 6.89 -4.67 -0.34 2.03 -0.47 -4.99 116.55 118.32 3i9d n ASP 111 Ca 0.14 -3.81 -0.42 0.00 0.52 0.00 0.00 54.79 51.22 3i9d n ASP 111 Cb 0.41 -0.92 -0.03 0.00 -0.72 0.00 0.00 41.12 39.86 3i9d n ASP 111 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 3i9d s THR 112 N -5.16 3.84 0.23 5.18 2.01 -1.24 -4.74 115.64 115.75 3i9d s THR 112 Ca 0.52 1.10 -0.32 0.00 0.31 0.00 0.00 61.69 63.30 3i9d s THR 112 Cb 0.43 -3.71 -0.12 0.00 0.01 0.00 0.00 72.50 69.11 3i9d s THR 112 CO -0.35 -0.06 1.68 -0.81 -0.69 0.00 0.00 174.62 174.39 3i9d n PRO 113 N 6.29 2.71 -3.66 4.92 -0.04 -1.26 -4.95 135.00 139.01 3i9d n PRO 113 Ca 0.15 0.97 -0.18 0.00 -0.04 0.00 0.00 63.50 64.40 3i9d n PRO 113 Cb 0.44 -2.80 -0.16 0.00 -0.04 0.00 0.00 33.50 30.94 3i9d n PRO 113 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3i9d s VAL 114 N 0.82 -0.20 0.41 0.52 0.11 -1.26 -5.04 120.40 115.76 3i9d s VAL 114 Ca 0.72 0.35 -0.25 0.00 -2.93 0.00 0.00 61.98 59.87 3i9d s VAL 114 Cb -0.52 -0.27 -0.08 0.00 -1.53 0.00 0.00 36.38 33.99 3i9d s VAL 114 CO 0.37 0.13 1.21 -2.16 -3.33 0.00 0.00 175.10 171.33 3i9d s PRO 115 N 2.24 3.95 -0.22 1.54 0.04 -1.26 -4.88 135.00 136.42 3i9d s PRO 115 Ca 0.04 1.94 -0.04 0.00 0.04 0.00 0.00 61.00 62.98 3i9d s PRO 115 Cb -0.12 -2.65 -0.05 0.00 0.04 0.00 0.00 34.50 31.72 3i9d s PRO 115 CO -0.05 -0.43 2.92 0.72 0.04 0.00 0.00 177.00 180.20 3i9d n HIS 116 N -0.02 0.82 -2.64 0.56 8.25 -1.26 -4.69 115.22 116.24 3i9d n HIS 116 Ca 0.05 -1.68 -0.03 0.00 -0.26 0.00 0.00 57.72 55.79 3i9d n HIS 116 Cb 0.46 -1.32 0.00 0.00 1.12 0.00 0.00 29.99 30.25 3i9d n HIS 116 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 3i9d n ASN 117 N 1.48 -7.36 0.00 0.41 5.03 -1.26 -5.08 115.26 108.48 3i9d n ASN 117 Ca 0.39 0.89 0.00 0.00 0.87 0.00 0.00 54.58 56.74 3i9d n ASN 117 Cb 0.69 -4.91 0.00 0.00 -1.02 0.00 0.00 39.78 34.54 3i9d n ASN 117 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3i9d n GLY 118 N 0.16 1.09 3.41 7.41 0.00 -1.26 -5.09 105.19 110.91 3i9d n GLY 118 Ca 0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.72 3i9d n GLY 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i9d s ARG 120 N -3.06 3.91 0.51 0.00 3.52 -1.26 -5.07 118.95 117.50 3i9d s ARG 120 Ca 0.60 0.64 -0.03 0.00 -0.13 0.00 0.00 55.73 56.81 3i9d s ARG 120 Cb -0.28 -2.37 0.11 0.00 -1.56 0.00 0.00 34.95 30.85 3i9d s ARG 120 CO 0.64 0.02 0.69 -2.30 -0.81 0.00 0.00 175.30 173.54 3i9d n PRO 121 N -0.91 -0.12 0.00 5.12 -0.02 -1.26 -5.10 135.00 132.72 3i9d n PRO 121 Ca 0.04 -1.61 0.00 0.00 -2.02 0.00 0.00 63.50 59.91 3i9d n PRO 121 Cb 0.54 -0.54 0.00 0.00 -0.02 0.00 0.00 33.50 33.47 3i9d n PRO 121 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3i9d n LYS 122 N -2.34 -0.25 0.19 -0.52 5.02 -1.26 -4.97 118.16 114.01 3i9d n LYS 122 Ca 0.10 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.30 3i9d n LYS 122 Cb 0.37 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 35.33 3i9d n LYS 122 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 3i9d h LYS 123 N 0.00 -0.52 0.00 1.97 3.64 -1.99 -3.37 116.57 116.30 3i9d h LYS 123 Ca 0.00 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 3i9d h LYS 123 Cb 0.00 0.12 0.00 0.00 -0.41 0.00 0.00 32.23 31.94 3i9d h LYS 123 CO 0.00 -0.29 0.00 1.17 -2.27 0.00 0.00 179.45 178.06 3i9d n LYS 124 N -5.14 0.00 -0.11 1.90 4.81 -1.26 -1.74 118.16 116.62 3i9d n LYS 124 Ca -0.08 0.20 -0.01 0.00 -0.87 0.00 0.00 58.31 57.55 3i9d n LYS 124 Cb 0.24 -0.53 -0.02 0.00 0.02 0.00 0.00 35.03 34.74 3i9d n LYS 124 CO 0.00 0.00 0.00 1.19 1.17 0.00 0.00 177.40 179.76 3i9d n PHE 125 N -0.51 0.02 0.00 5.64 3.01 -1.26 -3.80 117.46 120.56 3i9d n PHE 125 Ca 0.00 -0.21 0.00 0.00 1.01 0.00 0.00 57.45 58.25 3i9d n PHE 125 Cb 0.00 -0.55 0.00 0.00 -0.01 0.00 0.00 39.48 38.92 3i9d n PHE 125 CO 0.00 0.00 0.00 -2.13 1.01 0.00 0.00 176.76 175.64 3i9d n ARG 126 N 3.13 0.00 -0.07 -1.08 0.63 -0.71 -4.47 116.66 114.09 3i9d n ARG 126 Ca 0.05 0.00 -0.04 0.00 -0.92 0.00 0.00 57.85 56.93 3i9d n ARG 126 Cb 0.09 0.00 -0.16 0.00 0.45 0.00 0.00 32.46 32.84 3i9d n ARG 126 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 3i9d n LYS 127 N 0.00 0.68 -4.06 -0.14 0.00 -1.25 -4.83 118.16 108.56 3i9d n LYS 127 Ca 0.00 -0.05 -0.28 0.00 0.00 0.00 0.00 58.31 57.99 3i9d n LYS 127 Cb 0.00 -1.53 -0.06 0.00 0.00 0.00 0.00 35.03 33.44 3i9d n LYS 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3i9d s ALA 128 N -2.76 3.59 -2.36 3.14 0.00 -1.26 -5.20 121.76 116.90 3i9d s ALA 128 Ca -0.09 -1.12 0.29 0.00 0.00 0.00 0.00 51.96 51.03 3i9d s ALA 128 Cb 0.08 -1.42 1.28 0.00 0.00 0.00 0.00 23.12 23.07 3i9d s ALA 128 CO 0.85 0.60 1.88 0.45 0.00 0.00 0.00 175.76 179.54