#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fub s VAL 42 N 3.34 1.80 0.28 0.00 -7.23 0.13 -4.92 120.40 113.80 3fub s VAL 42 Ca 0.19 -2.09 -0.21 0.00 -1.81 0.00 0.00 61.98 58.07 3fub s VAL 42 Cb -0.18 -1.96 -0.09 0.00 0.56 0.00 0.00 36.38 34.71 3fub s VAL 42 CO 0.12 -0.47 0.80 -0.22 -0.31 0.00 0.00 175.10 175.02 3fub s LEU 43 N -3.04 4.27 -0.06 1.32 2.96 -1.26 -1.40 118.68 121.47 3fub s LEU 43 Ca 0.20 1.53 -0.05 0.00 -0.22 0.00 0.00 54.13 55.58 3fub s LEU 43 Cb -0.03 -3.84 0.02 0.00 0.50 0.00 0.00 46.19 42.84 3fub s LEU 43 CO 0.07 -0.06 0.15 -0.89 -1.32 0.00 0.00 176.35 174.31 3fub s THR 44 N -1.66 -0.01 -0.08 3.68 2.01 -0.46 -4.95 115.64 114.16 3fub s THR 44 Ca 0.48 0.02 0.05 0.00 0.31 0.00 0.00 61.69 62.54 3fub s THR 44 Cb -0.16 -0.23 -0.01 0.00 0.01 0.00 0.00 72.50 72.12 3fub s THR 44 CO 0.21 0.01 -0.23 0.00 -0.69 0.00 0.00 174.62 173.91 3fub s ALA 45 N 0.21 2.24 -0.01 7.40 0.00 -1.26 -1.50 121.76 128.84 3fub s ALA 45 Ca -0.01 -1.00 0.04 0.00 0.00 0.00 0.00 51.96 50.99 3fub s ALA 45 Cb -0.02 -0.79 -0.01 0.00 0.00 0.00 0.00 23.12 22.29 3fub s ALA 45 CO -0.01 0.36 -0.14 -1.50 0.00 0.00 0.00 175.76 174.47 3fub s ILE 46 N 0.05 1.12 -0.39 0.00 2.07 -0.24 -5.01 121.20 118.81 3fub s ILE 46 Ca -0.09 -0.61 -0.23 0.00 -1.41 0.00 0.00 60.65 58.31 3fub s ILE 46 Cb -0.15 -0.94 0.01 0.00 0.13 0.00 0.00 42.46 41.51 3fub s ILE 46 CO 0.06 0.32 0.75 -2.28 -1.91 0.00 0.00 174.94 171.88 3fub s HIS 47 N -0.33 3.09 0.22 3.50 5.65 -1.26 -0.75 115.29 125.41 3fub s HIS 47 Ca 0.05 0.39 0.07 0.00 0.25 0.00 0.00 55.06 55.82 3fub s HIS 47 Cb -0.06 -3.42 -0.05 0.00 -1.18 0.00 0.00 32.58 27.88 3fub s HIS 47 CO -0.01 -0.78 -0.10 -0.51 -0.65 0.00 0.00 174.74 172.69 3fub s LEU 48 N 3.06 2.49 0.43 8.88 1.43 -0.67 -5.00 118.68 129.30 3fub s LEU 48 Ca 0.29 -1.09 -0.22 0.00 -1.03 0.00 0.00 54.13 52.08 3fub s LEU 48 Cb -0.13 -0.58 -0.09 0.00 0.03 0.00 0.00 46.19 45.42 3fub s LEU 48 CO 0.18 -0.28 1.01 0.20 0.23 0.00 0.00 176.35 177.69 3fub s ASN 49 N -3.33 6.74 0.49 2.29 0.01 -1.26 -1.47 114.94 118.41 3fub s ASN 49 Ca 0.24 1.88 0.19 0.00 -0.71 0.00 0.00 52.86 54.47 3fub s ASN 49 Cb 0.02 -2.56 1.23 0.00 0.41 0.00 0.00 41.25 40.34 3fub s ASN 49 CO 0.08 -0.50 2.07 0.58 -1.51 0.00 0.00 177.10 177.81 3fub h VAL 50 N 1.96 0.94 0.00 1.60 2.07 -1.69 -1.55 116.25 119.58 3fub h VAL 50 Ca -0.49 -0.42 -0.06 0.00 0.82 0.00 0.00 66.70 66.55 3fub h VAL 50 Cb 1.20 1.24 -0.01 0.00 -1.52 0.00 0.00 31.29 32.20 3fub h VAL 50 CO 0.61 0.11 -0.30 0.71 0.02 0.00 0.00 177.57 178.72 3fub h THR 51 N 0.00 0.78 0.00 2.57 1.35 -1.84 -2.79 112.91 112.98 3fub h THR 51 Ca -0.00 -1.28 -0.00 0.00 -0.55 0.00 0.00 66.41 64.57 3fub h THR 51 Cb 0.23 1.80 -0.00 0.00 -1.73 0.00 0.00 68.15 68.45 3fub h THR 51 CO 0.02 0.30 -0.02 0.44 -0.25 0.00 0.00 175.52 176.01 3fub h ASP 52 N 0.00 0.00 1.86 5.36 3.32 -1.67 -2.50 116.42 122.80 3fub h ASP 52 Ca -0.00 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.02 3fub h ASP 52 Cb 0.78 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.33 3fub h ASP 52 CO 0.04 0.02 -0.14 -0.07 -1.72 0.00 0.00 179.24 177.36 3fub h LEU 53 N 0.00 0.00 -1.39 1.55 3.38 -1.58 -3.48 115.31 113.78 3fub h LEU 53 Ca -0.00 0.00 -0.37 0.00 0.09 0.00 0.00 57.88 57.60 3fub h LEU 53 Cb 0.16 0.00 0.13 0.00 0.09 0.00 0.00 40.66 41.04 3fub h LEU 53 CO 0.00 0.12 -0.75 0.61 0.09 0.00 0.00 178.44 178.51 3fub n GLY 54 N 1.13 -0.41 1.40 0.83 0.00 -0.94 -4.93 105.19 102.27 3fub n GLY 54 Ca 0.03 0.16 0.10 0.00 0.00 0.00 0.00 46.02 46.31 3fub n GLY 54 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3fub n LEU 55 N -4.45 4.32 0.00 0.99 4.77 -1.26 -4.92 117.00 116.45 3fub n LEU 55 Ca -0.18 -2.29 0.00 0.00 -0.03 0.00 0.00 56.01 53.51 3fub n LEU 55 Cb 0.63 -0.52 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 3fub n LEU 55 CO 0.64 0.86 0.00 0.61 -1.33 0.00 0.00 177.39 178.17 3fub n GLY 56 N 1.16 0.93 3.85 -0.72 0.00 -1.26 -5.09 105.19 104.07 3fub n GLY 56 Ca 0.24 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.93 3fub n GLY 56 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3fub s TYR 57 N -2.00 3.44 -0.56 1.61 2.02 -1.26 -5.06 117.35 115.54 3fub s TYR 57 Ca 0.00 0.30 0.01 0.00 -0.37 0.00 0.00 57.07 57.01 3fub s TYR 57 Cb 0.00 -1.79 0.14 0.00 -0.40 0.00 0.00 41.96 39.91 3fub s TYR 57 CO 0.00 0.61 0.33 -1.21 -1.57 0.00 0.00 175.55 173.71 3fub s GLU 58 N -1.84 2.20 0.24 -0.62 2.02 -1.26 -4.76 118.70 114.69 3fub s GLU 58 Ca 0.25 -2.60 -0.02 0.00 0.02 0.00 0.00 54.97 52.62 3fub s GLU 58 Cb -0.12 -3.47 -0.03 0.00 0.10 0.00 0.00 34.13 30.60 3fub s GLU 58 CO 0.16 -1.13 0.24 -0.08 0.02 0.00 0.00 175.26 174.47 3fub s THR 59 N -0.23 0.00 -0.70 3.63 -1.32 -1.26 -1.02 115.64 114.74 3fub s THR 59 Ca 0.17 -1.86 0.06 0.00 -1.21 0.00 0.00 61.69 58.85 3fub s THR 59 Cb -0.24 -2.46 0.06 0.00 -1.51 0.00 0.00 72.50 68.35 3fub s THR 59 CO -0.01 0.00 0.74 0.29 -2.21 0.00 0.00 174.62 173.42 3fub n LYS 60 N -0.37 0.17 -1.47 7.08 4.76 -1.26 -4.69 118.16 122.37 3fub n LYS 60 Ca 0.02 -0.96 -0.30 0.00 -2.87 0.00 0.00 58.31 54.20 3fub n LYS 60 Cb 0.64 -1.12 0.09 0.00 -1.84 0.00 0.00 35.03 32.81 3fub n LYS 60 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 3fub s GLU 61 N -0.55 2.07 0.28 1.97 2.02 -1.26 -4.89 118.70 118.33 3fub s GLU 61 Ca 0.07 0.75 0.02 0.00 0.02 0.00 0.00 54.97 55.84 3fub s GLU 61 Cb 0.05 -1.91 -0.05 0.00 0.10 0.00 0.00 34.13 32.32 3fub s GLU 61 CO 0.07 -1.66 0.10 -1.21 0.02 0.00 0.00 175.26 172.59 3fub s GLU 62 N -5.08 1.48 0.24 1.61 2.02 -1.26 -1.88 118.70 115.83 3fub s GLU 62 Ca 0.61 -1.82 -0.18 0.00 0.02 0.00 0.00 54.97 53.61 3fub s GLU 62 Cb -0.15 -0.32 0.02 0.00 0.10 0.00 0.00 34.13 33.78 3fub s GLU 62 CO 0.55 -0.31 0.59 -0.48 0.02 0.00 0.00 175.26 175.63 3fub s LEU 63 N -3.35 0.00 -0.30 1.80 2.34 -0.54 -4.82 118.68 113.81 3fub s LEU 63 Ca 0.37 -0.66 -0.09 0.00 0.06 0.00 0.00 54.13 53.80 3fub s LEU 63 Cb 0.07 2.27 -0.01 0.00 -0.56 0.00 0.00 46.19 47.96 3fub s LEU 63 CO 0.14 -1.20 0.14 -0.63 -1.06 0.00 0.00 176.35 173.75 3fub s ILE 64 N -3.94 4.56 -0.18 1.48 -1.09 -1.26 -1.67 121.20 119.11 3fub s ILE 64 Ca 0.14 -0.40 -0.10 0.00 -2.23 0.00 0.00 60.65 58.06 3fub s ILE 64 Cb -0.03 -3.31 -0.05 0.00 -1.58 0.00 0.00 42.46 37.49 3fub s ILE 64 CO 0.05 0.09 0.16 0.12 -1.23 0.00 0.00 174.94 174.13 3fub s PHE 65 N 1.61 3.46 0.07 3.97 5.36 0.07 -4.96 117.98 127.56 3fub s PHE 65 Ca 0.05 0.42 0.10 0.00 -0.96 0.00 0.00 56.93 56.53 3fub s PHE 65 Cb -0.17 -2.15 -0.03 0.00 -0.34 0.00 0.00 43.02 40.33 3fub s PHE 65 CO 0.06 0.37 -0.26 1.03 -1.46 0.00 0.00 175.22 174.96 3fub s ARG 66 N 0.10 1.68 0.17 10.12 0.52 -1.26 -1.08 118.95 129.20 3fub s ARG 66 Ca 0.11 -1.16 -0.08 0.00 -0.52 0.00 0.00 55.73 54.08 3fub s ARG 66 Cb -0.12 -1.93 -0.01 0.00 0.52 0.00 0.00 34.95 33.41 3fub s ARG 66 CO 0.00 0.49 0.26 1.52 0.02 0.00 0.00 175.30 177.59 3fub s TYR 67 N -0.87 0.52 -0.17 -0.53 1.13 -0.56 -2.44 117.35 114.42 3fub s TYR 67 Ca 0.12 -0.87 -0.06 0.00 -1.41 0.00 0.00 57.07 54.84 3fub s TYR 67 Cb -0.10 -0.13 -0.04 0.00 -1.10 0.00 0.00 41.96 40.59 3fub s TYR 67 CO 0.03 -0.71 0.04 0.00 -2.51 0.00 0.00 175.55 172.39 3fub s SER 69 N 0.35 1.39 0.00 0.00 1.04 -0.49 -4.88 113.70 111.12 3fub s SER 69 Ca 0.01 -0.81 0.00 0.00 0.48 0.00 0.00 55.95 55.63 3fub s SER 69 Cb -0.13 0.02 0.00 0.00 0.10 0.00 0.00 66.02 66.01 3fub s SER 69 CO 0.01 -0.28 0.00 0.61 0.98 0.00 0.00 173.24 174.56 3fub n GLY 70 N 0.56 1.15 3.97 7.32 0.00 -1.26 -0.69 105.19 116.25 3fub n GLY 70 Ca -0.16 -2.29 -0.20 0.00 0.00 0.00 0.00 46.02 43.37 3fub n GLY 70 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3fub s SER 71 N 0.00 5.97 0.23 1.61 0.15 -1.26 -4.63 113.70 115.76 3fub s SER 71 Ca 0.00 -0.17 0.05 0.00 0.70 0.00 0.00 55.95 56.53 3fub s SER 71 Cb 0.00 -1.34 -0.03 0.00 -1.71 0.00 0.00 66.02 62.94 3fub s SER 71 CO 0.00 -0.34 0.34 0.00 1.20 0.00 0.00 173.24 174.44 3fub h ASP 73 N 1.31 0.00 0.00 0.00 3.45 -2.00 -3.46 116.42 115.72 3fub h ASP 73 Ca -0.51 0.00 0.00 0.00 0.43 0.00 0.00 57.03 56.95 3fub h ASP 73 Cb 1.23 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.00 3fub h ASP 73 CO 0.62 0.00 0.00 0.00 -1.57 0.00 0.00 179.24 178.29 3fub n ALA 74 N -2.24 0.00 -3.00 3.45 0.00 -1.26 -4.96 120.51 112.49 3fub n ALA 74 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 3fub n ALA 74 Cb 0.13 -0.12 0.00 0.00 0.00 0.00 0.00 19.45 19.46 3fub n ALA 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3fub n ALA 75 N 1.00 0.00 0.00 0.00 0.00 -1.26 -4.63 120.51 115.62 3fub n ALA 75 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3fub n ALA 75 Cb 0.01 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.46 3fub n ALA 75 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3fub n GLU 76 N 0.00 0.00 -3.59 0.00 2.13 -1.26 -5.00 120.64 112.92 3fub n GLU 76 Ca 0.00 0.00 -0.25 0.00 0.66 0.00 0.00 57.16 57.57 3fub n GLU 76 Cb 0.00 0.00 -0.02 0.00 0.27 0.00 0.00 31.44 31.69 3fub n GLU 76 CO 0.00 0.00 0.00 -0.08 -0.41 0.00 0.00 177.13 176.64 3fub s THR 77 N -2.46 5.16 0.17 6.31 -1.32 -1.26 -5.00 115.64 117.24 3fub s THR 77 Ca 0.00 -0.49 -0.07 0.00 -1.21 0.00 0.00 61.69 59.92 3fub s THR 77 Cb 0.00 -3.81 -0.03 0.00 -1.51 0.00 0.00 72.50 67.14 3fub s THR 77 CO 0.00 -0.38 1.51 0.74 -2.21 0.00 0.00 174.62 174.28 3fub h THR 78 N 1.12 1.29 -0.70 5.08 2.02 -1.99 -3.04 112.91 116.68 3fub h THR 78 Ca -0.49 -1.61 0.04 0.00 0.77 0.00 0.00 66.41 65.12 3fub h THR 78 Cb 1.21 1.50 -0.05 0.00 -1.74 0.00 0.00 68.15 69.07 3fub h THR 78 CO 0.64 0.52 0.43 0.22 0.37 0.00 0.00 175.52 177.70 3fub h TYR 79 N 0.62 0.81 0.04 3.16 3.20 -1.99 -1.35 116.97 121.46 3fub h TYR 79 Ca 0.04 0.02 -0.24 0.00 3.14 0.00 0.00 58.73 61.70 3fub h TYR 79 Cb 0.98 -0.26 0.00 0.00 1.54 0.00 0.00 36.73 38.99 3fub h TYR 79 CO 0.05 0.45 -1.02 -0.44 -1.64 0.00 0.00 178.16 175.56 3fub h ASP 80 N 0.84 0.48 -0.91 -2.11 3.32 -1.93 -1.27 116.42 114.84 3fub h ASP 80 Ca 0.29 -0.42 0.08 0.00 0.02 0.00 0.00 57.03 56.99 3fub h ASP 80 Cb 0.05 -0.15 -0.06 0.00 0.22 0.00 0.00 39.33 39.39 3fub h ASP 80 CO -0.12 1.25 0.59 0.11 -1.72 0.00 0.00 179.24 179.34 3fub h LYS 81 N 0.18 0.96 -0.06 3.56 1.57 -1.39 0.03 116.57 121.42 3fub h LYS 81 Ca -0.09 -0.06 -0.24 0.00 -1.87 0.00 0.00 60.65 58.39 3fub h LYS 81 Cb 1.68 -0.22 0.01 0.00 0.08 0.00 0.00 32.23 33.79 3fub h LYS 81 CO 0.17 0.64 -0.91 0.82 -0.57 0.00 0.00 179.45 179.60 3fub h ILE 82 N 0.99 1.31 -0.05 1.86 2.04 -1.06 -1.72 117.51 120.88 3fub h ILE 82 Ca 0.40 -2.18 -0.00 0.00 1.00 0.00 0.00 64.86 64.08 3fub h ILE 82 Cb 0.26 2.23 -0.00 0.00 -0.74 0.00 0.00 36.82 38.57 3fub h ILE 82 CO -0.16 0.67 0.03 -0.07 0.00 0.00 0.00 178.15 178.62 3fub h LEU 83 N 0.41 0.07 -0.71 1.44 3.38 -0.84 0.73 115.31 119.78 3fub h LEU 83 Ca -0.09 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.79 3fub h LEU 83 Cb 1.55 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 42.25 3fub h LEU 83 CO 0.18 0.14 0.41 0.50 0.09 0.00 0.00 178.44 179.75 3fub h LYS 84 N -0.01 0.98 -0.38 1.13 3.64 -1.05 -1.45 116.57 119.44 3fub h LYS 84 Ca 0.02 -0.10 -0.12 0.00 -1.27 0.00 0.00 60.65 59.18 3fub h LYS 84 Cb 0.08 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 31.70 3fub h LYS 84 CO -0.00 0.71 -0.24 -0.91 -2.27 0.00 0.00 179.45 176.75 3fub h ASN 85 N 0.98 0.86 0.25 4.20 2.35 -1.17 -2.50 115.58 120.54 3fub h ASN 85 Ca 0.25 -0.43 -0.06 0.00 -0.55 0.00 0.00 56.30 55.52 3fub h ASN 85 Cb 0.00 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.12 3fub h ASN 85 CO -0.04 1.10 -0.26 -0.07 -1.65 0.00 0.00 177.43 176.50 3fub h LEU 86 N 0.62 0.02 -0.14 1.61 3.38 -0.74 -2.48 115.31 117.59 3fub h LEU 86 Ca 0.08 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.99 3fub h LEU 86 Cb 0.80 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.54 3fub h LEU 86 CO 0.07 0.28 -0.10 -1.28 0.09 0.00 0.00 178.44 177.50 3fub h SER 87 N 0.02 0.33 0.18 -0.43 0.87 -1.15 -1.33 113.55 112.04 3fub h SER 87 Ca 0.00 -0.45 -0.01 0.00 -1.23 0.00 0.00 61.79 60.10 3fub h SER 87 Cb 0.47 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 62.34 3fub h SER 87 CO 0.03 0.71 -0.09 -0.09 -0.53 0.00 0.00 176.83 176.86 3fub h ARG 88 N -0.05 -0.25 0.00 2.24 2.43 -1.29 -1.70 114.38 115.77 3fub h ARG 88 Ca 0.03 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 3fub h ARG 88 Cb 0.60 0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.21 3fub h ARG 88 CO 0.03 -0.16 0.00 0.27 -1.51 0.00 0.00 179.97 178.59 3fub n ASN 89 N -5.20 0.00 -2.77 -3.80 0.23 -0.95 -4.91 115.26 97.87 3fub n ASN 89 Ca -0.09 -1.16 -0.19 0.00 -0.53 0.00 0.00 54.58 52.61 3fub n ASN 89 Cb 0.13 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.83 3fub n ASN 89 CO 0.00 0.00 0.00 -2.11 -0.93 0.00 0.00 177.26 174.22 3fub n ARG 90 N -0.83 -3.06 -1.08 -3.83 -4.01 -0.64 -4.86 116.66 98.35 3fub n ARG 90 Ca 0.14 0.76 -0.11 0.00 -1.04 0.00 0.00 57.85 57.60 3fub n ARG 90 Cb 0.06 -5.47 0.27 0.00 -3.04 0.00 0.00 32.46 24.29 3fub n ARG 90 CO 0.00 0.00 0.00 2.89 -3.04 0.00 0.00 177.63 177.48 3fub n ARG 91 N -3.37 3.32 0.00 2.89 -4.01 -0.59 -5.02 116.66 109.88 3fub n ARG 91 Ca -0.14 -3.03 0.00 0.00 -1.04 0.00 0.00 57.85 53.64 3fub n ARG 91 Cb 0.62 -2.21 0.00 0.00 -3.04 0.00 0.00 32.46 27.83 3fub n ARG 91 CO 0.00 0.00 0.00 -0.11 -3.04 0.00 0.00 177.63 174.48 3fub n LEU 92 N -0.41 0.00 -4.38 2.89 0.00 -1.18 -4.98 117.00 108.94 3fub n LEU 92 Ca 0.46 0.00 -0.44 0.00 0.00 0.00 0.00 56.01 56.03 3fub n LEU 92 Cb 1.47 0.00 -0.08 0.00 0.00 0.00 0.00 43.42 44.81 3fub n LEU 92 CO 0.49 0.00 0.01 -0.75 0.00 0.00 0.00 177.39 177.13 3fub s LYS 96 N 2.81 2.93 -0.11 1.96 2.20 -1.26 -5.11 119.74 123.17 3fub s LYS 96 Ca 0.00 -1.34 -0.05 0.00 -0.36 0.00 0.00 55.97 54.22 3fub s LYS 96 Cb 0.00 -4.08 0.05 0.00 -1.51 0.00 0.00 37.83 32.29 3fub s LYS 96 CO 0.00 -1.00 0.24 0.08 -0.36 0.00 0.00 175.35 174.31 3fub s VAL 97 N 1.62 -0.09 0.00 4.02 1.01 -1.26 -5.09 120.40 120.61 3fub s VAL 97 Ca 0.04 0.17 0.00 0.00 0.00 0.00 0.00 61.98 62.19 3fub s VAL 97 Cb -0.24 -0.38 0.00 0.00 0.00 0.00 0.00 36.38 35.76 3fub s VAL 97 CO 0.06 0.07 0.00 0.61 0.00 0.00 0.00 175.10 175.84 3fub n GLY 98 N 4.38 -2.04 3.62 4.51 0.00 -1.26 -5.16 105.19 109.25 3fub n GLY 98 Ca -0.23 0.72 -0.30 0.00 0.00 0.00 0.00 46.02 46.22 3fub n GLY 98 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3fub s GLN 99 N 0.00 -1.12 0.92 1.61 -0.21 -1.26 -5.04 119.66 114.56 3fub s GLN 99 Ca 0.00 -0.13 -0.12 0.00 0.02 0.00 0.00 55.36 55.13 3fub s GLN 99 Cb 0.00 -1.61 0.14 0.00 1.00 0.00 0.00 33.01 32.54 3fub s GLN 99 CO 0.00 -3.63 1.13 0.00 -2.12 0.00 0.00 175.29 170.67 3fub s ALA 100 N -3.10 1.70 -0.02 6.09 0.00 -1.26 -5.08 121.76 120.10 3fub s ALA 100 Ca 0.71 -0.51 -0.03 0.00 0.00 0.00 0.00 51.96 52.14 3fub s ALA 100 Cb -0.09 -3.04 0.00 0.00 0.00 0.00 0.00 23.12 20.00 3fub s ALA 100 CO 0.56 -2.33 0.06 0.00 0.00 0.00 0.00 175.76 174.05 3fub s ARG 103 N 5.66 1.10 0.13 0.00 1.81 -0.20 -4.69 118.95 122.76 3fub s ARG 103 Ca 0.67 -1.54 -0.31 0.00 -1.72 0.00 0.00 55.73 52.83 3fub s ARG 103 Cb -0.16 -0.11 -0.08 0.00 -0.45 0.00 0.00 34.95 34.15 3fub s ARG 103 CO 0.29 -0.19 1.31 -2.14 -0.68 0.00 0.00 175.30 173.89 3fub s PRO 104 N -3.97 4.38 -0.01 3.54 0.02 -1.26 -1.65 135.00 136.05 3fub s PRO 104 Ca 0.26 1.98 0.14 0.00 0.02 0.00 0.00 61.00 63.40 3fub s PRO 104 Cb 0.07 -3.26 -0.19 0.00 0.02 0.00 0.00 34.50 31.14 3fub s PRO 104 CO 0.05 -0.32 0.47 0.44 -0.33 0.00 0.00 177.00 177.31 3fub n ILE 105 N 3.52 0.00 -3.90 2.83 -5.35 0.11 -4.87 119.36 111.69 3fub n ILE 105 Ca 0.09 -0.24 -0.11 0.00 -0.27 0.00 0.00 62.75 62.22 3fub n ILE 105 Cb 0.44 0.62 -0.11 0.00 -1.74 0.00 0.00 39.64 38.84 3fub n ILE 105 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3fub s ALA 106 N -2.64 -0.13 0.14 -1.28 0.00 -1.15 -4.91 121.76 111.80 3fub s ALA 106 Ca 0.00 -0.22 0.07 0.00 0.00 0.00 0.00 51.96 51.82 3fub s ALA 106 Cb 0.10 0.07 -0.04 0.00 0.00 0.00 0.00 23.12 23.24 3fub s ALA 106 CO 0.59 -0.15 -0.05 -0.06 0.00 0.00 0.00 175.76 176.09 3fub s PHE 107 N -1.06 2.77 1.10 0.00 0.08 -1.26 0.11 117.98 119.72 3fub s PHE 107 Ca -0.12 -0.15 -0.16 0.00 0.12 0.00 0.00 56.93 56.62 3fub s PHE 107 Cb -0.07 -1.39 0.24 0.00 -0.57 0.00 0.00 43.02 41.23 3fub s PHE 107 CO 0.00 0.48 1.11 -0.51 -0.10 0.00 0.00 175.22 176.21 3fub s ASP 108 N -2.62 1.80 0.61 1.36 1.01 0.11 -4.53 116.67 114.41 3fub s ASP 108 Ca 0.25 0.87 -0.17 0.00 0.71 0.00 0.00 52.55 54.21 3fub s ASP 108 Cb -0.10 -1.31 -0.02 0.00 1.01 0.00 0.00 42.92 42.50 3fub s ASP 108 CO 0.16 -3.61 1.13 -1.81 0.21 0.00 0.00 175.17 171.25 3fub s ASP 109 N -3.73 5.30 0.39 0.27 1.01 -1.26 -4.63 116.67 114.02 3fub s ASP 109 Ca 0.68 2.11 -0.26 0.00 0.71 0.00 0.00 52.55 55.79 3fub s ASP 109 Cb -0.14 -2.57 -0.11 0.00 1.01 0.00 0.00 42.92 41.11 3fub s ASP 109 CO 0.57 -1.50 1.19 0.47 0.21 0.00 0.00 175.17 176.10 3fub n ASP 110 N -1.95 2.19 -4.33 0.27 8.00 -1.26 -4.88 116.55 114.58 3fub n ASP 110 Ca 0.11 1.13 -0.33 0.00 0.71 0.00 0.00 54.79 56.40 3fub n ASP 110 Cb 0.51 -1.44 -0.14 0.00 -0.02 0.00 0.00 41.12 40.03 3fub n ASP 110 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3fub s LEU 111 N -1.01 2.71 0.14 0.64 0.20 -0.51 -4.95 118.68 115.89 3fub s LEU 111 Ca 0.60 -0.37 0.06 0.00 0.69 0.00 0.00 54.13 55.10 3fub s LEU 111 Cb -0.56 -1.63 -0.04 0.00 -0.43 0.00 0.00 46.19 43.53 3fub s LEU 111 CO 0.59 0.11 0.03 -0.44 -0.29 0.00 0.00 176.35 176.35 3fub s SER 112 N 0.70 5.04 -0.08 3.68 0.01 -1.26 0.20 113.70 121.98 3fub s SER 112 Ca -0.06 -0.25 -0.30 0.00 1.31 0.00 0.00 55.95 56.65 3fub s SER 112 Cb -0.15 -1.18 0.09 0.00 0.21 0.00 0.00 66.02 64.99 3fub s SER 112 CO 0.02 0.12 0.81 0.72 0.41 0.00 0.00 173.24 175.31 3fub s PHE 113 N -1.57 -0.53 -0.26 2.43 -0.71 -0.87 -5.00 117.98 111.46 3fub s PHE 113 Ca 0.28 0.87 -0.12 0.00 -1.04 0.00 0.00 56.93 56.91 3fub s PHE 113 Cb -0.10 0.44 -0.05 0.00 -1.21 0.00 0.00 43.02 42.10 3fub s PHE 113 CO 0.20 -0.51 0.25 -1.17 -1.34 0.00 0.00 175.22 172.64 3fub s LEU 114 N -1.27 4.05 1.06 -1.99 2.96 -1.26 -1.11 118.68 121.12 3fub s LEU 114 Ca -0.06 0.13 -0.16 0.00 -0.22 0.00 0.00 54.13 53.81 3fub s LEU 114 Cb -0.00 -2.22 0.23 0.00 0.50 0.00 0.00 46.19 44.69 3fub s LEU 114 CO 0.05 -0.07 1.18 1.51 -1.32 0.00 0.00 176.35 177.71 3fub s ASP 115 N 1.55 2.20 0.16 3.68 1.47 0.25 -4.66 116.67 121.33 3fub s ASP 115 Ca 0.10 0.61 0.21 0.00 1.18 0.00 0.00 52.55 54.65 3fub s ASP 115 Cb -0.15 -0.87 0.87 0.00 -0.34 0.00 0.00 42.92 42.42 3fub s ASP 115 CO 0.09 -3.33 1.65 0.47 0.68 0.00 0.00 175.17 174.73 3fub n ASP 116 N -4.22 0.44 -1.76 2.11 8.00 -0.19 -2.24 116.55 118.69 3fub n ASP 116 Ca 0.12 0.60 0.07 0.00 0.71 0.00 0.00 54.79 56.30 3fub n ASP 116 Cb 0.59 -0.70 0.39 0.00 -0.02 0.00 0.00 41.12 41.38 3fub n ASP 116 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 3fub n ASN 117 N -1.98 5.50 -2.40 -2.24 5.15 -1.26 -4.95 115.26 113.07 3fub n ASN 117 Ca 0.03 -2.95 -0.19 0.00 -0.60 0.00 0.00 54.58 50.88 3fub n ASN 117 Cb 0.23 -0.67 0.02 0.00 -0.53 0.00 0.00 39.78 38.83 3fub n ASN 117 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 3fub n LEU 118 N 0.47 -2.26 -4.37 1.20 4.77 -0.95 -5.01 117.00 110.85 3fub n LEU 118 Ca 0.27 -0.16 -0.32 0.00 -0.03 0.00 0.00 56.01 55.77 3fub n LEU 118 Cb 1.16 -2.63 -0.15 0.00 -2.33 0.00 0.00 43.42 39.47 3fub n LEU 118 CO 0.30 0.05 -0.52 -0.69 -1.33 0.00 0.00 177.39 175.20 3fub s VAL 119 N -3.02 2.50 0.38 4.08 1.01 -1.26 -4.93 120.40 119.15 3fub s VAL 119 Ca 0.16 -0.93 -0.13 0.00 0.00 0.00 0.00 61.98 61.08 3fub s VAL 119 Cb -0.07 -1.93 -0.08 0.00 0.00 0.00 0.00 36.38 34.30 3fub s VAL 119 CO 0.20 0.58 0.77 -0.31 0.00 0.00 0.00 175.10 176.34 3fub s TYR 120 N -0.49 3.42 0.03 5.22 2.02 -1.26 -0.58 117.35 125.71 3fub s TYR 120 Ca 0.06 1.16 -0.02 0.00 -0.37 0.00 0.00 57.07 57.91 3fub s TYR 120 Cb -0.11 -2.52 -0.02 0.00 -0.40 0.00 0.00 41.96 38.91 3fub s TYR 120 CO 0.01 -0.04 -0.00 -1.01 -1.57 0.00 0.00 175.55 172.94 3fub s HIS 121 N -2.22 0.33 -0.11 2.71 3.76 -0.26 -4.94 115.29 114.57 3fub s HIS 121 Ca 0.53 -0.70 0.02 0.00 -0.15 0.00 0.00 55.06 54.76 3fub s HIS 121 Cb -0.10 -0.25 0.01 0.00 1.11 0.00 0.00 32.58 33.36 3fub s HIS 121 CO 0.25 -0.29 -0.15 0.42 -0.85 0.00 0.00 174.74 174.11 3fub s ILE 122 N -2.53 1.48 -0.28 0.60 1.01 -1.26 -2.04 121.20 118.19 3fub s ILE 122 Ca -0.06 -0.64 -0.16 0.00 0.00 0.00 0.00 60.65 59.79 3fub s ILE 122 Cb -0.02 -1.36 -0.03 0.00 0.01 0.00 0.00 42.46 41.06 3fub s ILE 122 CO -0.05 0.44 0.44 -0.76 0.00 0.00 0.00 174.94 175.01 3fub s LEU 123 N 0.95 4.08 -0.11 2.97 1.43 0.13 -4.95 118.68 123.18 3fub s LEU 123 Ca -0.07 0.32 -0.01 0.00 -1.03 0.00 0.00 54.13 53.34 3fub s LEU 123 Cb -0.15 -2.52 -0.03 0.00 0.03 0.00 0.00 46.19 43.52 3fub s LEU 123 CO -0.01 -0.25 -0.05 -0.13 0.23 0.00 0.00 176.35 176.14 3fub s ARG 124 N 2.18 3.20 -1.62 1.70 0.52 -1.26 -1.42 118.95 122.25 3fub s ARG 124 Ca 0.17 -0.53 -0.16 0.00 -0.52 0.00 0.00 55.73 54.69 3fub s ARG 124 Cb -0.16 -2.75 0.12 0.00 0.52 0.00 0.00 34.95 32.69 3fub s ARG 124 CO 0.10 0.47 0.87 1.63 0.02 0.00 0.00 175.30 178.38 3fub n LYS 125 N 2.83 -4.21 0.09 3.54 5.02 -1.26 -4.85 118.16 119.32 3fub n LYS 125 Ca -0.18 0.47 -0.00 0.00 -2.02 0.00 0.00 58.31 56.58 3fub n LYS 125 Cb 0.53 -5.26 -0.04 0.00 -0.02 0.00 0.00 35.03 30.24 3fub n LYS 125 CO 0.00 0.00 0.00 1.12 -0.52 0.00 0.00 177.40 178.00 3fub h HIS 126 N -1.77 0.00 -3.96 2.13 2.07 -1.90 -3.47 115.15 108.25 3fub h HIS 126 Ca -0.59 0.00 -0.33 0.00 -2.85 0.00 0.00 60.37 56.60 3fub h HIS 126 Cb 1.38 0.00 -0.23 0.00 2.57 0.00 0.00 27.41 31.13 3fub h HIS 126 CO 0.60 0.62 -0.75 0.45 -3.07 0.00 0.00 177.93 175.78 3fub s SER 127 N -6.25 1.05 -0.01 3.10 0.15 -1.26 -4.85 113.70 105.62 3fub s SER 127 Ca 0.01 -0.46 -0.07 0.00 0.70 0.00 0.00 55.95 56.13 3fub s SER 127 Cb 0.08 -0.02 -0.05 0.00 -1.71 0.00 0.00 66.02 64.33 3fub s SER 127 CO 0.78 -0.10 0.25 0.00 1.20 0.00 0.00 173.24 175.37 3fub s ALA 128 N -1.06 3.85 -0.24 5.45 0.00 -1.02 0.05 121.76 128.79 3fub s ALA 128 Ca -0.05 -0.58 -0.02 0.00 0.00 0.00 0.00 51.96 51.31 3fub s ALA 128 Cb -0.08 -2.06 -0.14 0.00 0.00 0.00 0.00 23.12 20.84 3fub s ALA 128 CO 0.01 0.64 -0.24 1.17 0.00 0.00 0.00 175.76 177.34 3fub n LYS 129 N 1.27 0.57 -4.09 0.00 4.81 0.31 -4.57 118.16 116.46 3fub n LYS 129 Ca -0.13 0.16 -0.08 0.00 -0.87 0.00 0.00 58.31 57.39 3fub n LYS 129 Cb 0.53 -1.45 -0.10 0.00 0.02 0.00 0.00 35.03 34.03 3fub n LYS 129 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 3fub s ARG 130 N -2.47 0.60 0.01 1.64 0.52 -1.14 -4.94 118.95 113.19 3fub s ARG 130 Ca -0.32 -1.12 0.04 0.00 -0.52 0.00 0.00 55.73 53.81 3fub s ARG 130 Cb 0.10 0.08 -0.02 0.00 0.52 0.00 0.00 34.95 35.63 3fub s ARG 130 CO 0.51 -0.07 -0.14 0.00 0.02 0.00 0.00 175.30 175.63 3fub s GLY 132 N -0.70 0.80 -0.28 0.00 0.00 -0.66 -4.86 107.32 101.63 3fub s GLY 132 Ca 0.03 -1.20 -0.22 0.00 0.00 0.00 0.00 44.72 43.34 3fub s GLY 132 CO 0.00 -1.06 0.69 0.00 0.00 0.00 0.00 173.10 172.74