#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mcb s ASN 54 N 0.00 6.66 0.11 6.55 2.47 -1.26 -5.04 114.94 124.43 3mcb s ASN 54 Ca 0.00 -2.46 -0.28 0.00 0.42 0.00 0.00 52.86 50.54 3mcb s ASN 54 Cb 0.00 -2.24 -0.06 0.00 -1.45 0.00 0.00 41.25 37.50 3mcb s ASN 54 CO 0.00 -0.69 0.87 0.21 -3.72 0.00 0.00 177.10 173.77 3mcb s ASN 55 N 2.56 7.41 -0.27 -4.21 2.47 -1.26 -1.60 114.94 120.05 3mcb s ASN 55 Ca 0.18 1.68 -0.06 0.00 0.42 0.00 0.00 52.86 55.08 3mcb s ASN 55 Cb -0.12 -2.54 0.00 0.00 -1.45 0.00 0.00 41.25 37.14 3mcb s ASN 55 CO -0.07 0.03 0.04 -0.63 -3.72 0.00 0.00 177.10 172.75 3mcb s ILE 56 N -0.34 3.78 0.59 -5.21 1.01 0.16 -4.95 121.20 116.23 3mcb s ILE 56 Ca 0.42 -0.62 -0.09 0.00 0.00 0.00 0.00 60.65 60.36 3mcb s ILE 56 Cb -0.23 -2.88 -0.03 0.00 0.01 0.00 0.00 42.46 39.34 3mcb s ILE 56 CO 0.27 0.20 0.96 -0.94 0.00 0.00 0.00 174.94 175.43 3mcb s SER 57 N 1.49 6.06 -1.31 3.58 1.04 -1.26 -4.25 113.70 119.05 3mcb s SER 57 Ca 0.03 1.17 -0.02 0.00 0.48 0.00 0.00 55.95 57.61 3mcb s SER 57 Cb -0.16 -2.25 0.00 0.00 0.10 0.00 0.00 66.02 63.71 3mcb s SER 57 CO 0.01 -0.87 0.28 0.61 0.98 0.00 0.00 173.24 174.25 3mcb n GLY 58 N -2.63 -0.29 3.68 7.32 0.00 -1.26 -4.96 105.19 107.05 3mcb n GLY 58 Ca 0.04 -0.12 -0.42 0.00 0.00 0.00 0.00 46.02 45.53 3mcb n GLY 58 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3mcb s ILE 59 N -2.95 3.72 -0.03 -0.61 -1.09 -1.26 -4.91 121.20 114.06 3mcb s ILE 59 Ca 0.14 1.03 -0.21 0.00 -2.23 0.00 0.00 60.65 59.39 3mcb s ILE 59 Cb -0.06 -3.67 -0.31 0.00 -1.58 0.00 0.00 42.46 36.84 3mcb s ILE 59 CO 0.17 -0.03 0.93 -0.08 -1.23 0.00 0.00 174.94 174.70 3mcb h GLU 60 N 8.27 0.35 -2.63 2.79 4.57 -1.92 -3.36 114.58 122.64 3mcb h GLU 60 Ca -0.37 -0.57 -0.05 0.00 -1.18 0.00 0.00 59.36 57.19 3mcb h GLU 60 Cb 1.17 0.21 -0.16 0.00 -0.16 0.00 0.00 28.75 29.81 3mcb h GLU 60 CO 0.92 1.27 0.14 -1.83 -1.18 0.00 0.00 179.01 178.33 3mcb s GLU 61 N -2.51 1.13 -0.04 1.92 -1.05 -1.26 -0.76 118.70 116.12 3mcb s GLU 61 Ca -0.13 -0.18 0.04 0.00 -0.15 0.00 0.00 54.97 54.56 3mcb s GLU 61 Cb 0.02 0.52 -0.00 0.00 -0.44 0.00 0.00 34.13 34.22 3mcb s GLU 61 CO 0.85 -0.43 -0.16 0.08 0.95 0.00 0.00 175.26 176.55 3mcb s VAL 62 N -2.54 1.34 -0.07 1.83 1.01 -0.58 -4.96 120.40 116.43 3mcb s VAL 62 Ca -0.05 -0.67 0.04 0.00 0.00 0.00 0.00 61.98 61.30 3mcb s VAL 62 Cb -0.01 -1.15 0.00 0.00 0.00 0.00 0.00 36.38 35.22 3mcb s VAL 62 CO -0.02 0.39 -0.19 0.20 0.00 0.00 0.00 175.10 175.48 3mcb s ASN 63 N 0.04 2.46 -0.30 3.32 0.01 -1.26 -0.71 114.94 118.50 3mcb s ASN 63 Ca -0.03 -0.42 0.02 0.00 -0.71 0.00 0.00 52.86 51.71 3mcb s ASN 63 Cb -0.11 -0.94 0.07 0.00 0.41 0.00 0.00 41.25 40.68 3mcb s ASN 63 CO 0.02 0.13 -0.03 -0.04 -1.51 0.00 0.00 177.10 175.67 3mcb s MET 64 N 0.27 2.11 0.07 -0.60 -1.94 -0.42 -4.95 119.30 113.85 3mcb s MET 64 Ca -0.11 -1.47 -0.24 0.00 -1.71 0.00 0.00 55.69 52.15 3mcb s MET 64 Cb -0.15 -3.07 -0.06 0.00 2.01 0.00 0.00 34.83 33.55 3mcb s MET 64 CO 0.05 -0.69 0.73 -0.06 -0.01 0.00 0.00 175.02 175.04 3mcb s PHE 65 N 1.10 3.78 0.31 -0.03 0.40 -1.26 -0.51 117.98 121.77 3mcb s PHE 65 Ca -0.03 1.47 0.09 0.00 -0.60 0.00 0.00 56.93 57.86 3mcb s PHE 65 Cb -0.20 -2.75 -0.04 0.00 0.51 0.00 0.00 43.02 40.53 3mcb s PHE 65 CO -0.05 0.38 0.07 0.95 0.70 0.00 0.00 175.22 177.27 3mcb s THR 66 N -0.46 3.23 -1.01 0.64 -4.23 -0.23 -4.99 115.64 108.60 3mcb s THR 66 Ca 0.36 -1.79 0.03 0.00 -1.18 0.00 0.00 61.69 59.10 3mcb s THR 66 Cb -0.21 -2.93 0.14 0.00 1.34 0.00 0.00 72.50 70.84 3mcb s THR 66 CO 0.23 -0.27 0.76 -0.46 -0.54 0.00 0.00 174.62 174.34 3mcb n ASN 67 N -1.03 1.69 -0.42 3.99 2.04 -1.26 -2.82 115.26 117.45 3mcb n ASN 67 Ca -0.05 -2.14 0.05 0.00 -0.44 0.00 0.00 54.58 52.00 3mcb n ASN 67 Cb 0.60 -0.48 0.13 0.00 -2.53 0.00 0.00 39.78 37.50 3mcb n ASN 67 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 3mcb n GLN 68 N 0.08 2.70 -1.20 -3.83 1.13 -1.26 -4.98 117.38 110.03 3mcb n GLN 68 Ca 0.05 -2.11 -0.07 0.00 -1.94 0.00 0.00 57.00 52.94 3mcb n GLN 68 Cb 0.38 -1.33 -0.03 0.00 0.11 0.00 0.00 30.24 29.37 3mcb n GLN 68 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3mcb n GLY 69 N -0.25 0.88 3.62 1.08 0.00 -1.13 -5.01 105.19 104.39 3mcb n GLY 69 Ca 0.11 -0.76 -0.27 0.00 0.00 0.00 0.00 46.02 45.10 3mcb n GLY 69 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3mcb s THR 70 N -2.24 2.18 -0.03 2.61 -4.23 -1.26 -0.45 115.64 112.21 3mcb s THR 70 Ca 0.00 -2.00 -0.01 0.00 -1.18 0.00 0.00 61.69 58.50 3mcb s THR 70 Cb 0.00 -2.89 0.03 0.00 1.34 0.00 0.00 72.50 70.98 3mcb s THR 70 CO 0.00 -0.07 0.03 -0.69 -0.54 0.00 0.00 174.62 173.35 3mcb s VAL 71 N -2.65 0.01 -0.46 2.29 1.01 0.13 -1.06 120.40 119.66 3mcb s VAL 71 Ca 0.35 0.25 -0.23 0.00 0.00 0.00 0.00 61.98 62.35 3mcb s VAL 71 Cb 0.06 -0.18 0.03 0.00 0.00 0.00 0.00 36.38 36.29 3mcb s VAL 71 CO 0.18 0.14 0.81 -0.63 0.00 0.00 0.00 175.10 175.61 3mcb s ILE 72 N 1.47 4.61 -0.19 2.22 1.01 0.33 -0.94 121.20 129.71 3mcb s ILE 72 Ca -0.04 0.43 -0.07 0.00 0.00 0.00 0.00 60.65 60.97 3mcb s ILE 72 Cb -0.13 -4.36 -0.04 0.00 0.01 0.00 0.00 42.46 37.95 3mcb s ILE 72 CO -0.03 -0.78 0.05 -2.28 0.00 0.00 0.00 174.94 171.90 3mcb s HIS 73 N 3.40 3.19 -0.15 3.97 2.46 0.87 -1.30 115.29 127.73 3mcb s HIS 73 Ca 0.30 -0.04 0.01 0.00 0.47 0.00 0.00 55.06 55.80 3mcb s HIS 73 Cb -0.12 -2.08 -0.00 0.00 -0.13 0.00 0.00 32.58 30.25 3mcb s HIS 73 CO 0.23 0.06 -0.16 -0.06 -2.47 0.00 0.00 174.74 172.33 3mcb s PHE 74 N 0.54 2.76 -0.20 3.88 0.40 0.11 -0.73 117.98 124.74 3mcb s PHE 74 Ca 0.02 -1.06 -0.13 0.00 -0.60 0.00 0.00 56.93 55.16 3mcb s PHE 74 Cb -0.13 -1.87 -0.05 0.00 0.51 0.00 0.00 43.02 41.48 3mcb s PHE 74 CO 0.01 -0.48 0.28 1.21 0.70 0.00 0.00 175.22 176.94 3mcb s ASN 75 N 0.78 6.34 -1.44 1.36 3.04 -1.26 -1.52 114.94 122.24 3mcb s ASN 75 Ca -0.06 0.39 -0.01 0.00 0.04 0.00 0.00 52.86 53.21 3mcb s ASN 75 Cb -0.15 -2.17 0.00 0.00 -1.54 0.00 0.00 41.25 37.39 3mcb s ASN 75 CO 0.00 0.04 0.31 0.59 -3.04 0.00 0.00 177.10 175.01 3mcb n ASN 76 N 4.02 -0.13 -4.78 -4.21 5.03 0.06 -4.85 115.26 110.40 3mcb n ASN 76 Ca -0.12 -1.09 -0.29 0.00 0.87 0.00 0.00 54.58 53.95 3mcb n ASN 76 Cb 0.52 -2.64 0.13 0.00 -1.02 0.00 0.00 39.78 36.77 3mcb n ASN 76 CO 0.00 0.00 0.00 -2.16 -1.83 0.00 0.00 177.26 173.27 3mcb s PRO 77 N -6.78 1.23 0.03 3.52 0.04 -1.26 -4.99 135.00 126.79 3mcb s PRO 77 Ca 0.02 0.39 -0.18 0.00 0.04 0.00 0.00 61.00 61.27 3mcb s PRO 77 Cb -0.01 -1.84 -0.06 0.00 0.04 0.00 0.00 34.50 32.63 3mcb s PRO 77 CO 0.92 -2.16 0.52 0.21 0.04 0.00 0.00 177.00 176.54 3mcb s LYS 78 N -5.21 4.15 -0.02 4.56 2.20 0.19 -4.58 119.74 121.03 3mcb s LYS 78 Ca 0.63 0.63 0.01 0.00 -0.36 0.00 0.00 55.97 56.88 3mcb s LYS 78 Cb -0.15 -3.26 0.01 0.00 -1.51 0.00 0.00 37.83 32.91 3mcb s LYS 78 CO 0.54 0.58 -0.04 0.08 -0.36 0.00 0.00 175.35 176.15 3mcb s VAL 79 N -0.85 0.37 0.12 4.02 1.01 -1.26 -0.78 120.40 123.04 3mcb s VAL 79 Ca 0.28 -0.13 0.09 0.00 0.00 0.00 0.00 61.98 62.22 3mcb s VAL 79 Cb -0.18 -0.36 -0.04 0.00 0.00 0.00 0.00 36.38 35.80 3mcb s VAL 79 CO 0.17 0.14 -0.23 0.00 0.00 0.00 0.00 175.10 175.18 3mcb s GLN 80 N 0.32 1.24 0.03 2.72 -2.07 -0.43 -0.67 119.66 120.80 3mcb s GLN 80 Ca -0.03 -1.26 0.02 0.00 -1.82 0.00 0.00 55.36 52.26 3mcb s GLN 80 Cb -0.07 -1.56 -0.02 0.00 -1.09 0.00 0.00 33.01 30.27 3mcb s GLN 80 CO -0.00 0.36 -0.06 0.00 -1.32 0.00 0.00 175.29 174.26 3mcb s ALA 81 N -1.23 0.45 -0.31 2.60 0.00 -0.62 -0.09 121.76 122.55 3mcb s ALA 81 Ca 0.10 -0.61 -0.02 0.00 0.00 0.00 0.00 51.96 51.43 3mcb s ALA 81 Cb -0.10 0.03 0.11 0.00 0.00 0.00 0.00 23.12 23.16 3mcb s ALA 81 CO 0.05 -0.02 0.13 0.45 0.00 0.00 0.00 175.76 176.37 3mcb s SER 82 N -1.24 3.66 0.28 0.00 0.15 0.28 -4.58 113.70 112.24 3mcb s SER 82 Ca -0.08 -1.58 -0.03 0.00 0.70 0.00 0.00 55.95 54.96 3mcb s SER 82 Cb -0.08 -0.58 0.40 0.00 -1.71 0.00 0.00 66.02 64.05 3mcb s SER 82 CO 0.00 -0.41 1.93 -0.07 1.20 0.00 0.00 173.24 175.89 3mcb h LEU 83 N 8.06 1.03 -0.57 3.45 3.38 -1.97 -0.29 115.31 128.40 3mcb h LEU 83 Ca -0.14 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.79 3mcb h LEU 83 Cb 1.00 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.49 3mcb h LEU 83 CO 0.43 0.71 0.24 0.00 0.09 0.00 0.00 178.44 179.92 3mcb h ALA 84 N 1.45 0.73 -0.01 1.53 0.00 -1.94 -2.65 119.26 118.37 3mcb h ALA 84 Ca 0.37 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.13 3mcb h ALA 84 Cb -0.01 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.56 3mcb h ALA 84 CO -0.11 0.33 -0.01 0.00 0.00 0.00 0.00 179.25 179.46 3mcb n ALA 85 N -2.35 2.64 -3.89 0.00 0.00 -1.00 -4.94 120.51 110.98 3mcb n ALA 85 Ca 0.03 -0.35 -0.25 0.00 0.00 0.00 0.00 53.44 52.87 3mcb n ALA 85 Cb 0.15 -1.30 -0.01 0.00 0.00 0.00 0.00 19.45 18.30 3mcb n ALA 85 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3mcb n ASN 86 N -0.32 -0.93 -4.08 0.00 5.03 -0.18 -5.00 115.26 109.78 3mcb n ASN 86 Ca 0.20 -0.98 -0.15 0.00 0.87 0.00 0.00 54.58 54.52 3mcb n ASN 86 Cb 0.27 -3.24 -0.12 0.00 -1.02 0.00 0.00 39.78 35.67 3mcb n ASN 86 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 3mcb s THR 87 N -3.87 0.69 0.03 3.41 -4.23 -0.86 -5.02 115.64 105.78 3mcb s THR 87 Ca 0.05 -1.04 0.05 0.00 -1.18 0.00 0.00 61.69 59.57 3mcb s THR 87 Cb -0.02 -0.71 -0.02 0.00 1.34 0.00 0.00 72.50 73.10 3mcb s THR 87 CO 0.87 -0.27 -0.14 -0.36 -0.54 0.00 0.00 174.62 174.19 3mcb s PHE 88 N -1.19 1.19 -0.14 3.99 0.40 -1.26 -0.56 117.98 120.41 3mcb s PHE 88 Ca -0.06 -0.33 0.01 0.00 -0.60 0.00 0.00 56.93 55.95 3mcb s PHE 88 Cb -0.09 -0.72 -0.00 0.00 0.51 0.00 0.00 43.02 42.72 3mcb s PHE 88 CO 0.01 0.02 -0.17 0.99 0.70 0.00 0.00 175.22 176.77 3mcb s THR 89 N -0.75 2.59 -0.14 0.64 2.01 0.87 -4.98 115.64 115.88 3mcb s THR 89 Ca 0.02 -0.81 0.01 0.00 0.31 0.00 0.00 61.69 61.23 3mcb s THR 89 Cb -0.07 -2.07 -0.00 0.00 0.01 0.00 0.00 72.50 70.36 3mcb s THR 89 CO 0.01 0.53 -0.18 -0.63 -0.69 0.00 0.00 174.62 173.66 3mcb s ILE 90 N 0.67 2.49 -0.14 1.82 1.09 -1.26 -1.32 121.20 124.55 3mcb s ILE 90 Ca -0.08 -0.84 0.00 0.00 -1.10 0.00 0.00 60.65 58.63 3mcb s ILE 90 Cb -0.16 -2.02 0.02 0.00 -1.06 0.00 0.00 42.46 39.24 3mcb s ILE 90 CO 0.02 0.53 -0.13 -0.89 -0.10 0.00 0.00 174.94 174.37 3mcb s THR 91 N 0.68 1.47 -4.49 2.92 2.01 0.04 -4.99 115.64 113.28 3mcb s THR 91 Ca -0.09 -0.57 0.00 0.00 0.31 0.00 0.00 61.69 61.34 3mcb s THR 91 Cb -0.16 -1.39 0.00 0.00 0.01 0.00 0.00 72.50 70.97 3mcb s THR 91 CO 0.02 0.44 0.00 0.61 -0.69 0.00 0.00 174.62 175.00 3mcb n GLY 92 N 4.72 -2.63 3.67 4.40 0.00 -1.26 -0.64 105.19 113.45 3mcb n GLY 92 Ca -0.16 -1.29 -0.43 0.00 0.00 0.00 0.00 46.02 44.14 3mcb n GLY 92 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3mcb s HIS 93 N -2.10 2.92 0.09 1.61 5.65 -1.26 -5.02 115.29 117.18 3mcb s HIS 93 Ca 0.00 1.02 -0.12 0.00 0.25 0.00 0.00 55.06 56.21 3mcb s HIS 93 Cb 0.00 -3.51 -0.06 0.00 -1.18 0.00 0.00 32.58 27.83 3mcb s HIS 93 CO 0.00 -1.74 0.45 0.00 -0.65 0.00 0.00 174.74 172.80 3mcb s ALA 94 N 3.02 3.68 -0.08 1.58 0.00 -1.26 -4.31 121.76 124.39 3mcb s ALA 94 Ca 0.57 -0.28 0.00 0.00 0.00 0.00 0.00 51.96 52.24 3mcb s ALA 94 Cb -0.24 -2.36 0.02 0.00 0.00 0.00 0.00 23.12 20.54 3mcb s ALA 94 CO 0.19 0.52 -0.06 -2.00 0.00 0.00 0.00 175.76 174.41 3mcb s GLU 95 N -1.81 1.20 -0.18 0.00 2.12 0.09 -4.95 118.70 115.17 3mcb s GLU 95 Ca 0.33 -0.16 -0.19 0.00 0.36 0.00 0.00 54.97 55.31 3mcb s GLU 95 Cb -0.15 -1.28 -0.03 0.00 0.26 0.00 0.00 34.13 32.94 3mcb s GLU 95 CO 0.18 -0.20 0.54 0.99 -0.54 0.00 0.00 175.26 176.23 3mcb s THR 96 N 1.48 5.10 0.17 -1.70 2.01 -1.26 -0.09 115.64 121.34 3mcb s THR 96 Ca -0.01 1.02 0.09 0.00 0.31 0.00 0.00 61.69 63.10 3mcb s THR 96 Cb -0.13 -3.87 -0.04 0.00 0.01 0.00 0.00 72.50 68.47 3mcb s THR 96 CO -0.04 0.19 -0.18 -0.54 -0.69 0.00 0.00 174.62 173.35 3mcb s LYS 97 N 1.51 1.30 0.17 4.92 1.02 -0.12 -4.95 119.74 123.58 3mcb s LYS 97 Ca 0.26 -1.43 -0.30 0.00 0.02 0.00 0.00 55.97 54.52 3mcb s LYS 97 Cb -0.16 -1.36 -0.08 0.00 -0.52 0.00 0.00 37.83 35.71 3mcb s LYS 97 CO 0.10 0.28 1.26 -0.65 -0.92 0.00 0.00 175.35 175.42 3mcb s GLN 98 N -2.82 4.43 0.40 1.68 -1.52 -1.26 0.18 119.66 120.74 3mcb s GLN 98 Ca 0.16 1.95 0.21 0.00 -1.95 0.00 0.00 55.36 55.74 3mcb s GLN 98 Cb -0.06 -3.24 1.19 0.00 -0.22 0.00 0.00 33.01 30.69 3mcb s GLN 98 CO 0.07 -0.21 1.71 1.25 -0.25 0.00 0.00 175.29 177.85 3mcb h LEU 99 N 5.67 0.40 -0.98 2.90 5.85 -1.03 0.20 115.31 128.32 3mcb h LEU 99 Ca -0.44 0.12 0.05 0.00 0.84 0.00 0.00 57.88 58.45 3mcb h LEU 99 Cb 1.21 0.07 -0.06 0.00 0.37 0.00 0.00 40.66 42.25 3mcb h LEU 99 CO 0.78 -0.03 0.64 0.74 -0.34 0.00 0.00 178.44 180.22 3mcb h THR 100 N 0.29 1.12 0.00 1.05 2.02 -1.90 -1.87 112.91 113.62 3mcb h THR 100 Ca 0.69 -0.41 -0.00 0.00 0.77 0.00 0.00 66.41 67.46 3mcb h THR 100 Cb 1.85 -0.17 -0.00 0.00 -1.74 0.00 0.00 68.15 68.09 3mcb h THR 100 CO -0.39 0.22 -0.01 -0.33 0.37 0.00 0.00 175.52 175.38 3mcb h GLU 101 N 1.19 0.00 -0.35 6.66 5.08 -0.97 -3.01 114.58 123.17 3mcb h GLU 101 Ca 0.41 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.77 3mcb h GLU 101 Cb 0.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.34 3mcb h GLU 101 CO -0.15 0.01 0.00 -1.33 -1.00 0.00 0.00 179.01 176.54 3mcb n MET 102 N -3.18 2.43 -2.35 2.33 2.81 -0.71 -4.96 117.12 113.49 3mcb n MET 102 Ca -0.02 -2.22 -0.32 0.00 -1.81 0.00 0.00 57.70 53.34 3mcb n MET 102 Cb 0.14 -1.49 -0.03 0.00 -0.71 0.00 0.00 33.22 31.14 3mcb n MET 102 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 3mcb s LEU 103 N -1.47 3.58 0.07 4.03 1.43 -1.14 -1.93 118.68 123.25 3mcb s LEU 103 Ca 0.36 1.52 0.25 0.00 -1.03 0.00 0.00 54.13 55.23 3mcb s LEU 103 Cb 0.22 -4.47 0.50 0.00 0.03 0.00 0.00 46.19 42.47 3mcb s LEU 103 CO 0.30 -0.62 1.43 -0.81 0.23 0.00 0.00 176.35 176.88 3mcb n PRO 104 N -1.73 0.17 0.29 1.29 -0.05 -1.26 -4.87 135.00 128.84 3mcb n PRO 104 Ca 0.06 0.06 0.17 0.00 -0.05 0.00 0.00 63.50 63.74 3mcb n PRO 104 Cb 0.54 -1.61 0.91 0.00 -0.05 0.00 0.00 33.50 33.29 3mcb n PRO 104 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 175.50 176.11 3mcb h SER 105 N 0.00 0.00 0.87 3.54 4.64 -1.97 -1.00 113.55 119.63 3mcb h SER 105 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3mcb h SER 105 Cb 0.64 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.73 3mcb h SER 105 CO 0.00 0.04 0.00 -0.29 -0.87 0.00 0.00 176.83 175.71 3mcb h ILE 106 N 0.00 0.00 -0.83 0.95 6.09 -1.72 -3.28 117.51 118.72 3mcb h ILE 106 Ca -0.00 -0.34 0.17 0.00 -1.37 0.00 0.00 64.86 63.32 3mcb h ILE 106 Cb 0.19 1.17 -0.06 0.00 0.47 0.00 0.00 36.82 38.59 3mcb h ILE 106 CO 0.01 0.00 0.55 -0.07 -3.07 0.00 0.00 178.15 175.56 3mcb h LEU 107 N 0.00 0.43 0.00 2.19 3.38 -1.46 -1.10 115.31 118.75 3mcb h LEU 107 Ca 0.00 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3mcb h LEU 107 Cb 0.43 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.13 3mcb h LEU 107 CO 0.00 0.21 0.00 -0.46 0.09 0.00 0.00 178.44 178.28 3mcb n ASN 108 N -4.50 0.00 -0.22 -0.43 2.04 -1.24 -2.34 115.26 108.57 3mcb n ASN 108 Ca 0.17 -0.77 0.08 0.00 -0.44 0.00 0.00 54.58 53.61 3mcb n ASN 108 Cb 0.58 -0.00 -0.04 0.00 -2.53 0.00 0.00 39.78 37.79 3mcb n ASN 108 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 3mcb n GLN 109 N -1.00 1.77 0.00 -3.83 6.02 -0.42 -5.24 117.38 114.67 3mcb n GLN 109 Ca 0.19 -0.48 0.15 0.00 -0.01 0.00 0.00 57.00 56.84 3mcb n GLN 109 Cb 0.09 -1.26 0.66 0.00 1.02 0.00 0.00 30.24 30.75 3mcb n GLN 109 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33