#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cbn s GLY 22 N 0.00 2.10 -0.03 -0.72 0.00 0.68 -4.94 107.32 104.41 3cbn s GLY 22 Ca 0.00 -2.02 0.00 0.00 0.00 0.00 0.00 44.72 42.70 3cbn s GLY 22 CO 0.00 -2.01 0.00 0.14 0.00 0.00 0.00 173.10 171.23 3cbn s VAL 23 N -2.58 0.19 -0.02 1.40 1.01 -1.26 -1.49 120.40 117.66 3cbn s VAL 23 Ca 0.32 0.10 0.05 0.00 0.00 0.00 0.00 61.98 62.44 3cbn s VAL 23 Cb 0.00 -0.29 -0.01 0.00 0.00 0.00 0.00 36.38 36.08 3cbn s VAL 23 CO 0.16 0.16 -0.17 -0.76 0.00 0.00 0.00 175.10 174.49 3cbn s LEU 24 N 1.13 2.00 0.14 3.92 1.43 -0.16 -4.98 118.68 122.15 3cbn s LEU 24 Ca -0.08 -0.32 0.09 0.00 -1.03 0.00 0.00 54.13 52.79 3cbn s LEU 24 Cb -0.13 -0.90 -0.04 0.00 0.03 0.00 0.00 46.19 45.15 3cbn s LEU 24 CO -0.02 0.19 -0.21 -0.13 0.23 0.00 0.00 176.35 176.41 3cbn s ARG 25 N -0.28 1.27 -0.27 1.70 0.52 -1.26 -1.28 118.95 119.35 3cbn s ARG 25 Ca 0.04 -1.32 -0.22 0.00 -0.52 0.00 0.00 55.73 53.71 3cbn s ARG 25 Cb -0.08 -1.50 0.07 0.00 0.52 0.00 0.00 34.95 33.96 3cbn s ARG 25 CO 0.00 0.33 0.70 -0.47 0.02 0.00 0.00 175.30 175.88 3cbn s TYR 26 N -1.52 -0.87 -0.05 -0.53 5.04 -0.62 -4.99 117.35 113.81 3cbn s TYR 26 Ca 0.13 1.97 0.06 0.00 -2.44 0.00 0.00 57.07 56.78 3cbn s TYR 26 Cb -0.08 0.38 -0.01 0.00 0.35 0.00 0.00 41.96 42.60 3cbn s TYR 26 CO 0.06 -0.42 -0.24 0.99 -1.34 0.00 0.00 175.55 174.60 3cbn s THR 27 N 0.79 2.15 0.28 4.34 2.01 -1.26 -0.19 115.64 123.76 3cbn s THR 27 Ca -0.03 -1.04 0.06 0.00 0.31 0.00 0.00 61.69 60.99 3cbn s THR 27 Cb -0.05 -1.78 -0.06 0.00 0.01 0.00 0.00 72.50 70.63 3cbn s THR 27 CO -0.06 0.57 -0.05 -1.48 -0.69 0.00 0.00 174.62 172.92 3cbn s LEU 28 N -0.25 2.45 0.15 4.42 0.05 0.13 -4.98 118.68 120.66 3cbn s LEU 28 Ca -0.01 -1.20 0.11 0.00 0.05 0.00 0.00 54.13 53.07 3cbn s LEU 28 Cb -0.13 -0.61 -0.04 0.00 -2.05 0.00 0.00 46.19 43.36 3cbn s LEU 28 CO 0.03 -0.37 -0.25 -0.13 -0.55 0.00 0.00 176.35 175.08 3cbn s ARG 29 N -3.74 1.40 0.31 1.48 0.52 -1.26 -1.08 118.95 116.58 3cbn s ARG 29 Ca 0.30 -1.39 -0.10 0.00 -0.52 0.00 0.00 55.73 54.01 3cbn s ARG 29 Cb 0.04 -1.79 0.04 0.00 0.52 0.00 0.00 34.95 33.76 3cbn s ARG 29 CO 0.12 0.41 0.59 0.00 0.02 0.00 0.00 175.30 176.44 3cbn n ALA 30 N 0.68 -1.25 -2.45 2.13 0.00 -0.44 0.25 120.51 119.43 3cbn n ALA 30 Ca -0.16 -1.05 -0.08 0.00 0.00 0.00 0.00 53.44 52.15 3cbn n ALA 30 Cb 0.54 0.84 -0.09 0.00 0.00 0.00 0.00 19.45 20.74 3cbn n ALA 30 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 3cbn s ARG 31 N -2.16 0.64 0.58 0.00 1.70 -0.23 0.15 118.95 119.64 3cbn s ARG 31 Ca 0.14 -0.97 -0.10 0.00 -0.47 0.00 0.00 55.73 54.33 3cbn s ARG 31 Cb -0.03 0.24 0.14 0.00 -0.57 0.00 0.00 34.95 34.73 3cbn s ARG 31 CO 0.11 -0.15 0.54 0.41 -1.08 0.00 0.00 175.30 175.12 3cbn n GLY 32 N 0.37 -2.45 3.46 3.88 0.00 0.58 -0.68 105.19 110.35 3cbn n GLY 32 Ca -0.16 -1.50 -0.15 0.00 0.00 0.00 0.00 46.02 44.21 3cbn n GLY 32 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3cbn s HIS 33 N -2.01 -0.56 0.59 1.61 2.46 0.15 -4.51 115.29 113.02 3cbn s HIS 33 Ca 0.34 1.15 0.29 0.00 0.47 0.00 0.00 55.06 57.32 3cbn s HIS 33 Cb -0.03 0.27 1.66 0.00 -0.13 0.00 0.00 32.58 34.36 3cbn s HIS 33 CO 0.26 -0.45 2.08 -1.35 -2.47 0.00 0.00 174.74 172.82 3cbn h PRO 34 N 4.05 0.00 -0.29 2.88 0.11 -1.78 -1.87 132.00 135.09 3cbn h PRO 34 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 3cbn h PRO 34 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3cbn h PRO 34 CO 0.29 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 178.17 3cbn n ASN 35 N -3.74 1.94 -4.71 -2.05 3.02 -1.26 -4.90 115.26 103.57 3cbn n ASN 35 Ca 0.02 -1.87 -0.42 0.00 -0.03 0.00 0.00 54.58 52.28 3cbn n ASN 35 Cb 0.35 -0.19 -0.03 0.00 -0.61 0.00 0.00 39.78 39.30 3cbn n ASN 35 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3cbn s VAL 36 N -1.62 4.10 0.00 2.41 1.01 -0.70 -4.82 120.40 120.77 3cbn s VAL 36 Ca 0.29 1.49 0.00 0.00 0.00 0.00 0.00 61.98 63.76 3cbn s VAL 36 Cb 0.16 -3.96 0.00 0.00 0.00 0.00 0.00 36.38 32.58 3cbn s VAL 36 CO 0.22 0.08 0.00 0.35 0.00 0.00 0.00 175.10 175.75 3cbn n THR 37 N 4.14 0.00 -3.80 3.92 -2.24 -1.26 -4.74 114.28 110.29 3cbn n THR 37 Ca 0.10 0.00 -0.23 0.00 -2.27 0.00 0.00 64.05 61.65 3cbn n THR 37 Cb 0.46 -0.62 0.01 0.00 -2.10 0.00 0.00 70.33 68.09 3cbn n THR 37 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3cbn n ALA 38 N -1.80 -2.00 0.93 6.98 0.00 -1.20 -4.90 120.51 118.52 3cbn n ALA 38 Ca 0.00 -0.20 0.10 0.00 0.00 0.00 0.00 53.44 53.34 3cbn n ALA 38 Cb 0.36 -1.82 -0.06 0.00 0.00 0.00 0.00 19.45 17.93 3cbn n ALA 38 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3cbn n GLY 39 N -1.72 -0.45 3.73 0.00 0.00 -0.28 -2.82 105.19 103.65 3cbn n GLY 39 Ca -0.30 -0.58 -0.42 0.00 0.00 0.00 0.00 46.02 44.73 3cbn n GLY 39 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3cbn s HIS 40 N -2.61 2.85 -0.88 1.61 2.46 -0.62 -4.44 115.29 113.66 3cbn s HIS 40 Ca 0.12 0.50 0.26 0.00 0.47 0.00 0.00 55.06 56.40 3cbn s HIS 40 Cb 0.16 -4.11 0.69 0.00 -0.13 0.00 0.00 32.58 29.19 3cbn s HIS 40 CO 0.68 -4.06 1.57 0.54 -2.47 0.00 0.00 174.74 170.99 3cbn n ARG 41 N 3.37 0.10 0.00 2.88 1.74 -1.26 -0.64 116.66 122.85 3cbn n ARG 41 Ca 0.13 0.05 0.00 0.00 -0.77 0.00 0.00 57.85 57.26 3cbn n ARG 41 Cb 0.36 -1.58 0.00 0.00 -1.02 0.00 0.00 32.46 30.22 3cbn n ARG 41 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 3cbn n THR 42 N -1.74 0.04 -3.88 0.55 -2.24 -1.26 -4.69 114.28 101.06 3cbn n THR 42 Ca 0.05 -0.29 -0.08 0.00 -2.27 0.00 0.00 64.05 61.46 3cbn n THR 42 Cb 0.37 1.41 -0.03 0.00 -2.10 0.00 0.00 70.33 69.98 3cbn n THR 42 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3cbn s THR 43 N -0.04 0.00 -0.06 4.28 -4.23 -1.26 -1.07 115.64 113.27 3cbn s THR 43 Ca 0.00 -1.09 -0.14 0.00 -1.18 0.00 0.00 61.69 59.28 3cbn s THR 43 Cb 0.00 -2.00 0.03 0.00 1.34 0.00 0.00 72.50 71.87 3cbn s THR 43 CO 0.00 -0.01 0.33 0.72 -0.54 0.00 0.00 174.62 175.12 3cbn s PHE 44 N -3.94 -0.26 0.02 3.99 -0.12 -0.98 -1.68 117.98 115.01 3cbn s PHE 44 Ca 0.14 0.53 -0.02 0.00 -0.05 0.00 0.00 56.93 57.53 3cbn s PHE 44 Cb -0.04 0.12 -0.02 0.00 -0.63 0.00 0.00 43.02 42.45 3cbn s PHE 44 CO 0.06 -0.32 0.01 -2.00 -0.05 0.00 0.00 175.22 172.92 3cbn s GLU 45 N -0.77 0.41 0.04 1.99 2.12 0.17 -1.73 118.70 120.93 3cbn s GLU 45 Ca -0.09 -0.69 0.08 0.00 0.36 0.00 0.00 54.97 54.64 3cbn s GLU 45 Cb -0.04 0.15 -0.03 0.00 0.26 0.00 0.00 34.13 34.47 3cbn s GLU 45 CO 0.03 -0.08 -0.24 0.08 -0.54 0.00 0.00 175.26 174.51 3cbn s VAL 46 N -1.94 1.92 0.03 3.70 1.01 -0.62 -0.54 120.40 123.96 3cbn s VAL 46 Ca -0.11 -1.27 -0.01 0.00 0.00 0.00 0.00 61.98 60.58 3cbn s VAL 46 Cb -0.06 -1.65 -0.02 0.00 0.00 0.00 0.00 36.38 34.65 3cbn s VAL 46 CO -0.02 0.33 -0.00 0.28 0.00 0.00 0.00 175.10 175.68 3cbn s THR 47 N -0.77 0.13 -0.59 3.92 -1.32 -0.19 -1.66 115.64 115.16 3cbn s THR 47 Ca 0.10 -1.09 0.25 0.00 -1.21 0.00 0.00 61.69 59.74 3cbn s THR 47 Cb -0.09 -0.60 0.31 0.00 -1.51 0.00 0.00 72.50 70.61 3cbn s THR 47 CO 0.02 -0.60 1.72 -0.37 -2.21 0.00 0.00 174.62 173.18 3cbn h VAL 48 N 4.21 0.00 -3.95 5.08 -1.51 -1.41 -0.55 116.25 118.11 3cbn h VAL 48 Ca -0.32 -0.65 -0.54 0.00 -1.23 0.00 0.00 66.70 63.96 3cbn h VAL 48 Cb 1.19 1.63 0.11 0.00 -2.13 0.00 0.00 31.29 32.09 3cbn h VAL 48 CO 0.47 0.00 0.73 -1.81 -1.23 0.00 0.00 177.57 175.73 3cbn s ASP 49 N -5.13 6.22 0.33 4.19 1.01 -1.26 -3.66 116.67 118.36 3cbn s ASP 49 Ca 0.09 2.95 0.21 0.00 0.71 0.00 0.00 52.55 56.51 3cbn s ASP 49 Cb 0.10 -2.66 0.18 0.00 1.01 0.00 0.00 42.92 41.54 3cbn s ASP 49 CO 0.61 -0.95 1.40 1.55 0.21 0.00 0.00 175.17 178.00 3cbn h PRO 50 N 2.78 0.00 -6.08 8.23 0.13 -1.93 0.16 132.00 135.28 3cbn h PRO 50 Ca -0.51 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.08 3cbn h PRO 50 Cb 1.25 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 32.17 3cbn h PRO 50 CO 0.63 0.12 -0.81 -1.21 -0.23 0.00 0.00 178.00 176.50 3cbn s GLU 51 N -3.17 1.15 0.05 0.86 0.41 -1.26 -4.61 118.70 112.13 3cbn s GLU 51 Ca 0.04 -1.22 0.03 0.00 -0.41 0.00 0.00 54.97 53.41 3cbn s GLU 51 Cb 0.07 -1.36 -0.03 0.00 -1.78 0.00 0.00 34.13 31.03 3cbn s GLU 51 CO 0.72 0.31 -0.10 0.96 -0.49 0.00 0.00 175.26 176.66 3cbn s ILE 52 N -1.40 0.72 0.78 -1.63 -4.36 -1.26 -5.07 121.20 108.99 3cbn s ILE 52 Ca 0.09 -1.15 -0.13 0.00 -0.26 0.00 0.00 60.65 59.20 3cbn s ILE 52 Cb -0.09 -0.75 0.19 0.00 1.25 0.00 0.00 42.46 43.05 3cbn s ILE 52 CO 0.05 -0.33 0.84 0.61 0.24 0.00 0.00 174.94 176.35 3cbn n GLY 53 N 1.42 -2.08 0.09 6.27 0.00 -1.26 -4.86 105.19 104.76 3cbn n GLY 53 Ca -0.22 -1.58 0.13 0.00 0.00 0.00 0.00 46.02 44.35 3cbn n GLY 53 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3cbn n GLU 54 N -3.43 0.23 -0.18 1.61 -0.58 -1.26 -3.63 120.64 113.40 3cbn n GLU 54 Ca 0.11 0.17 0.09 0.00 -0.42 0.00 0.00 57.16 57.11 3cbn n GLU 54 Cb 0.41 -1.75 0.18 0.00 -0.57 0.00 0.00 31.44 29.71 3cbn n GLU 54 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 3cbn n THR 55 N -2.15 0.63 -1.79 2.62 -2.24 -1.26 -4.75 114.28 105.33 3cbn n THR 55 Ca 0.05 -0.81 -0.41 0.00 -2.27 0.00 0.00 64.05 60.61 3cbn n THR 55 Cb 0.42 0.83 -0.01 0.00 -2.10 0.00 0.00 70.33 69.47 3cbn n THR 55 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3cbn n ALA 56 N 1.09 6.39 0.94 6.98 0.00 -1.24 -4.75 120.51 129.93 3cbn n ALA 56 Ca 0.16 -3.92 0.06 0.00 0.00 0.00 0.00 53.44 49.74 3cbn n ALA 56 Cb 0.50 -3.20 0.38 0.00 0.00 0.00 0.00 19.45 17.13 3cbn n ALA 56 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3cbn n ASP 57 N 3.91 0.00 -0.00 0.00 5.75 -1.26 -2.38 116.55 122.57 3cbn n ASP 57 Ca 0.60 -0.54 0.08 0.00 -0.01 0.00 0.00 54.79 54.91 3cbn n ASP 57 Cb 0.31 0.00 -0.11 0.00 -1.03 0.00 0.00 41.12 40.29 3cbn n ASP 57 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3cbn s ILE 59 N -2.76 4.89 -0.17 0.00 1.01 -1.00 0.46 121.20 123.64 3cbn s ILE 59 Ca 0.01 1.82 0.02 0.00 0.00 0.00 0.00 60.65 62.49 3cbn s ILE 59 Cb 0.11 -4.21 -0.00 0.00 0.01 0.00 0.00 42.46 38.37 3cbn s ILE 59 CO 0.66 0.11 0.33 2.30 0.00 0.00 0.00 174.94 178.34 3cbn n ILE 60 N 4.22 0.00 -3.69 2.92 -5.35 0.29 -4.45 119.36 113.31 3cbn n ILE 60 Ca 0.05 -0.48 -0.12 0.00 -0.27 0.00 0.00 62.75 61.92 3cbn n ILE 60 Cb 0.50 1.02 -0.09 0.00 -1.74 0.00 0.00 39.64 39.33 3cbn n ILE 60 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 3cbn s GLY 61 N -0.65 -0.41 0.42 3.28 0.00 -1.21 -4.64 107.32 104.12 3cbn s GLY 61 Ca 0.02 1.61 0.04 0.00 0.00 0.00 0.00 44.72 46.38 3cbn s GLY 61 CO 0.05 1.48 0.03 -1.34 0.00 0.00 0.00 173.10 173.32 3cbn s VAL 62 N 0.61 1.43 -1.55 1.40 -7.23 0.14 -1.02 120.40 114.18 3cbn s VAL 62 Ca -0.03 -2.00 -0.12 0.00 -1.81 0.00 0.00 61.98 58.02 3cbn s VAL 62 Cb -0.05 -2.64 0.09 0.00 0.56 0.00 0.00 36.38 34.34 3cbn s VAL 62 CO -0.04 0.00 0.80 -1.20 -0.31 0.00 0.00 175.10 174.36 3cbn n SER 63 N -1.04 -3.25 -4.77 4.85 7.64 0.04 -1.06 113.62 116.04 3cbn n SER 63 Ca -0.09 -0.90 -0.38 0.00 1.01 0.00 0.00 58.87 58.51 3cbn n SER 63 Cb 0.67 -3.39 -0.00 0.00 -1.01 0.00 0.00 64.21 60.48 3cbn n SER 63 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 3cbn s SER 64 N -3.57 6.15 0.00 6.43 0.15 -0.28 -4.48 113.70 118.10 3cbn s SER 64 Ca 0.52 2.52 0.27 0.00 0.70 0.00 0.00 55.95 59.96 3cbn s SER 64 Cb -0.27 -2.62 1.51 0.00 -1.71 0.00 0.00 66.02 62.93 3cbn s SER 64 CO 0.87 -0.95 1.98 -1.54 1.20 0.00 0.00 173.24 174.81 3cbn n SER 65 N -0.23 0.19 -3.73 5.45 3.41 0.14 -4.53 113.62 114.32 3cbn n SER 65 Ca 0.06 -1.22 -0.14 0.00 -0.26 0.00 0.00 58.87 57.32 3cbn n SER 65 Cb 0.45 -0.01 -0.09 0.00 -0.26 0.00 0.00 64.21 64.31 3cbn n SER 65 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 3cbn s ASP 66 N -1.84 -0.32 0.45 4.04 1.01 -1.26 -4.92 116.67 113.83 3cbn s ASP 66 Ca 0.40 0.42 0.07 0.00 0.71 0.00 0.00 52.55 54.15 3cbn s ASP 66 Cb 0.19 0.52 -0.01 0.00 1.01 0.00 0.00 42.92 44.63 3cbn s ASP 66 CO 0.31 -0.34 0.40 -0.94 0.21 0.00 0.00 175.17 174.81 3cbn s SER 67 N -0.72 4.96 0.42 0.27 1.04 -1.26 -4.58 113.70 113.83 3cbn s SER 67 Ca -0.08 -0.84 0.13 0.00 0.48 0.00 0.00 55.95 55.64 3cbn s SER 67 Cb -0.04 -0.36 0.90 0.00 0.10 0.00 0.00 66.02 66.62 3cbn s SER 67 CO 0.03 -0.76 1.94 -0.29 0.98 0.00 0.00 173.24 175.15 3cbn h ILE 68 N 0.95 1.17 0.00 -1.02 2.10 -1.60 -2.59 117.51 116.52 3cbn h ILE 68 Ca -0.40 -0.78 -0.05 0.00 1.08 0.00 0.00 64.86 64.71 3cbn h ILE 68 Cb 1.27 1.38 -0.01 0.00 -1.09 0.00 0.00 36.82 38.37 3cbn h ILE 68 CO 0.57 0.23 -0.22 0.77 -1.08 0.00 0.00 178.15 178.42 3cbn h SER 69 N 0.05 0.00 -0.12 2.19 4.64 -1.61 -3.12 113.55 115.57 3cbn h SER 69 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 3cbn h SER 69 Cb 0.40 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.49 3cbn h SER 69 CO 0.03 0.22 0.00 0.35 -0.87 0.00 0.00 176.83 176.56 3cbn n THR 70 N -3.50 0.14 -1.07 2.95 -2.24 -0.98 -4.92 114.28 104.66 3cbn n THR 70 Ca -0.01 -0.39 -0.32 0.00 -2.27 0.00 0.00 64.05 61.07 3cbn n THR 70 Cb 0.38 0.68 0.12 0.00 -2.10 0.00 0.00 70.33 69.42 3cbn n THR 70 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3cbn s LEU 71 N -1.78 3.01 0.33 3.22 1.43 -1.18 -4.90 118.68 118.80 3cbn s LEU 71 Ca 0.34 2.06 -0.29 0.00 -1.03 0.00 0.00 54.13 55.22 3cbn s LEU 71 Cb 0.20 -4.55 -0.12 0.00 0.03 0.00 0.00 46.19 41.75 3cbn s LEU 71 CO 0.30 -2.50 1.42 -2.65 0.23 0.00 0.00 176.35 173.15 3cbn n PRO 72 N -3.66 2.38 -0.15 1.29 -0.02 -1.26 -4.81 135.00 128.77 3cbn n PRO 72 Ca 0.11 0.84 0.05 0.00 -2.02 0.00 0.00 63.50 62.48 3cbn n PRO 72 Cb 0.52 -2.51 0.35 0.00 -0.02 0.00 0.00 33.50 31.84 3cbn n PRO 72 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3cbn h ASP 73 N 3.33 0.65 0.00 2.55 3.32 -1.94 -0.94 116.42 123.38 3cbn h ASP 73 Ca -0.47 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.57 3cbn h ASP 73 Cb 1.26 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 40.66 3cbn h ASP 73 CO 0.68 0.44 0.00 1.21 -1.72 0.00 0.00 179.24 179.85 3cbn n GLU 74 N -4.47 0.20 0.00 3.56 2.13 -1.26 -1.18 120.64 119.62 3cbn n GLU 74 Ca 0.09 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.91 3cbn n GLU 74 Cb 0.16 -1.26 0.00 0.00 0.27 0.00 0.00 31.44 30.61 3cbn n GLU 74 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 3cbn n LYS 76 N 0.67 0.00 -0.17 5.31 5.02 -0.36 -2.17 118.16 126.47 3cbn n LYS 76 Ca 0.00 0.00 -0.11 0.00 -2.02 0.00 0.00 58.31 56.18 3cbn n LYS 76 Cb 0.08 0.00 0.01 0.00 -0.02 0.00 0.00 35.03 35.10 3cbn n LYS 76 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3cbn h ARG 77 N 0.00 1.00 -0.51 1.97 3.08 -1.42 -2.43 114.38 116.07 3cbn h ARG 77 Ca 0.00 -0.40 -0.12 0.00 0.07 0.00 0.00 59.98 59.53 3cbn h ARG 77 Cb 0.00 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 29.99 3cbn h ARG 77 CO 0.00 1.08 -0.14 0.00 -1.07 0.00 0.00 179.97 179.84 3cbn h ALA 78 N 0.92 0.71 -0.32 0.04 0.00 -1.69 -3.23 119.26 115.69 3cbn h ALA 78 Ca 0.12 -0.36 -0.09 0.00 0.00 0.00 0.00 54.91 54.58 3cbn h ALA 78 Cb 0.74 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 3cbn h ALA 78 CO 0.06 0.65 -0.14 0.82 0.00 0.00 0.00 179.25 180.64 3cbn h ILE 79 N 0.87 1.29 -0.11 0.00 2.04 -1.83 -3.37 117.51 116.40 3cbn h ILE 79 Ca 0.13 -1.23 -0.71 0.00 1.00 0.00 0.00 64.86 64.05 3cbn h ILE 79 Cb 0.72 1.41 -0.05 0.00 -0.74 0.00 0.00 36.82 38.16 3cbn h ILE 79 CO 0.05 0.40 3.03 0.00 0.00 0.00 0.00 178.15 181.63 3cbn n ALA 80 N -2.44 5.37 -3.58 1.87 0.00 -0.92 -2.93 120.51 117.87 3cbn n ALA 80 Ca -0.03 -3.89 -0.09 0.00 0.00 0.00 0.00 53.44 49.44 3cbn n ALA 80 Cb 0.37 -3.53 -0.02 0.00 0.00 0.00 0.00 19.45 16.27 3cbn n ALA 80 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 3cbn s ARG 81 N 3.22 1.23 0.00 0.00 1.70 -1.15 -4.45 118.95 119.50 3cbn s ARG 81 Ca 0.47 -0.55 0.00 0.00 -0.47 0.00 0.00 55.73 55.18 3cbn s ARG 81 Cb 0.13 0.50 0.00 0.00 -0.57 0.00 0.00 34.95 35.01 3cbn s ARG 81 CO -0.07 -0.55 0.41 0.39 -1.08 0.00 0.00 175.30 174.40 3cbn n GLU 82 N -0.37 0.00 0.00 3.89 4.71 -1.26 -3.45 120.64 124.16 3cbn n GLU 82 Ca -0.10 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.05 3cbn n GLU 82 Cb 0.62 -1.43 0.00 0.00 -1.01 0.00 0.00 31.44 29.62 3cbn n GLU 82 CO 0.00 0.00 0.00 -1.13 0.09 0.00 0.00 177.13 176.09 3cbn n SER 84 N 2.78 0.00 -4.54 1.62 3.41 -1.26 -4.84 113.62 110.79 3cbn n SER 84 Ca 0.00 0.00 -0.34 0.00 -0.26 0.00 0.00 58.87 58.27 3cbn n SER 84 Cb 0.00 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 63.83 3cbn n SER 84 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3cbn s LEU 85 N 0.00 3.15 -0.10 1.04 1.43 -0.05 -1.08 118.68 123.06 3cbn s LEU 85 Ca 0.00 -0.07 0.04 0.00 -1.03 0.00 0.00 54.13 53.06 3cbn s LEU 85 Cb 0.00 -1.70 0.00 0.00 0.03 0.00 0.00 46.19 44.52 3cbn s LEU 85 CO 0.00 0.30 -0.22 -0.69 0.23 0.00 0.00 176.35 175.97 3cbn s VAL 86 N -0.43 1.90 -0.04 -1.59 1.01 -0.65 -1.72 120.40 118.89 3cbn s VAL 86 Ca 0.06 -0.92 0.04 0.00 0.00 0.00 0.00 61.98 61.16 3cbn s VAL 86 Cb -0.12 -1.65 -0.00 0.00 0.00 0.00 0.00 36.38 34.60 3cbn s VAL 86 CO 0.02 0.52 -0.16 -0.60 0.00 0.00 0.00 175.10 174.89 3cbn s ARG 87 N 0.43 1.62 -0.08 2.72 3.52 0.12 0.14 118.95 127.42 3cbn s ARG 87 Ca -0.17 -0.56 0.04 0.00 -0.13 0.00 0.00 55.73 54.91 3cbn s ARG 87 Cb -0.17 -1.43 -0.00 0.00 -1.56 0.00 0.00 34.95 31.78 3cbn s ARG 87 CO 0.07 0.24 -0.22 0.08 -0.81 0.00 0.00 175.30 174.66 3cbn s VAL 88 N 0.01 1.88 -0.18 7.11 1.01 0.38 -0.06 120.40 130.55 3cbn s VAL 88 Ca -0.03 -0.93 -0.02 0.00 0.00 0.00 0.00 61.98 61.00 3cbn s VAL 88 Cb -0.11 -1.62 -0.00 0.00 0.00 0.00 0.00 36.38 34.65 3cbn s VAL 88 CO 0.02 0.52 -0.10 -0.63 0.00 0.00 0.00 175.10 174.90 3cbn s ILE 89 N 0.22 2.97 -0.14 2.22 1.01 -0.10 -0.12 121.20 127.26 3cbn s ILE 89 Ca -0.13 -0.65 -0.05 0.00 0.00 0.00 0.00 60.65 59.82 3cbn s ILE 89 Cb -0.16 -2.30 -0.04 0.00 0.01 0.00 0.00 42.46 39.97 3cbn s ILE 89 CO 0.06 0.48 0.05 -0.76 0.00 0.00 0.00 174.94 174.77 3cbn s LEU 90 N 1.10 3.79 -0.02 2.97 1.43 0.68 -1.58 118.68 127.05 3cbn s LEU 90 Ca 0.01 0.14 -0.02 0.00 -1.03 0.00 0.00 54.13 53.23 3cbn s LEU 90 Cb -0.14 -1.92 0.01 0.00 0.03 0.00 0.00 46.19 44.16 3cbn s LEU 90 CO -0.03 0.27 0.06 -0.13 0.23 0.00 0.00 176.35 176.76 3cbn s ARG 91 N -0.22 0.07 0.33 1.70 0.52 -0.63 -1.33 118.95 119.39 3cbn s ARG 91 Ca 0.07 0.10 0.03 0.00 -0.52 0.00 0.00 55.73 55.42 3cbn s ARG 91 Cb -0.12 0.01 -0.04 0.00 0.52 0.00 0.00 34.95 35.32 3cbn s ARG 91 CO 0.02 -0.02 0.12 0.95 0.02 0.00 0.00 175.30 176.39 3cbn s THR 92 N 0.14 0.59 0.38 0.02 -4.23 -0.55 -0.68 115.64 111.31 3cbn s THR 92 Ca -0.01 -2.00 0.12 0.00 -1.18 0.00 0.00 61.69 58.62 3cbn s THR 92 Cb -0.02 -2.53 0.34 0.00 1.34 0.00 0.00 72.50 71.63 3cbn s THR 92 CO -0.00 0.00 1.87 1.05 -0.54 0.00 0.00 174.62 177.00 3cbn h GLU 93 N 2.09 0.57 0.00 3.99 4.11 -1.97 -2.82 114.58 120.55 3cbn h GLU 93 Ca -0.36 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 59.04 3cbn h GLU 93 Cb 1.25 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.38 3cbn h GLU 93 CO 0.58 0.38 0.00 0.09 0.07 0.00 0.00 179.01 180.12 3cbn n ASN 94 N -4.54 1.90 -4.28 3.06 3.02 -1.26 -5.06 115.26 108.10 3cbn n ASN 94 Ca 0.17 -1.91 -0.18 0.00 -0.03 0.00 0.00 54.58 52.63 3cbn n ASN 94 Cb 0.52 0.00 -0.11 0.00 -0.61 0.00 0.00 39.78 39.59 3cbn n ASN 94 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 3cbn s GLY 95 N -0.91 1.19 -0.24 7.41 0.00 -1.07 -4.59 107.32 109.11 3cbn s GLY 95 Ca 0.00 -1.44 -0.26 0.00 0.00 0.00 0.00 44.72 43.02 3cbn s GLY 95 CO 0.00 -1.52 0.78 -0.47 0.00 0.00 0.00 173.10 171.89 3cbn s TYR 96 N -2.58 -0.70 0.04 1.90 5.04 -1.26 -1.48 117.35 118.31 3cbn s TYR 96 Ca 0.14 1.64 -0.27 0.00 -2.44 0.00 0.00 57.07 56.15 3cbn s TYR 96 Cb -0.02 0.31 0.07 0.00 0.35 0.00 0.00 41.96 42.67 3cbn s TYR 96 CO 0.04 -0.38 0.64 0.34 -1.34 0.00 0.00 175.55 174.84 3cbn s ASP 97 N 0.10 -0.61 -0.05 4.32 -1.08 -0.44 -4.64 116.67 114.27 3cbn s ASP 97 Ca -0.01 0.39 0.03 0.00 -0.52 0.00 0.00 52.55 52.44 3cbn s ASP 97 Cb -0.04 0.56 0.01 0.00 -1.46 0.00 0.00 42.92 41.99 3cbn s ASP 97 CO 0.01 -0.77 -0.13 -0.70 0.52 0.00 0.00 175.17 174.10 3cbn s GLU 98 N -2.32 1.57 -0.07 4.34 2.12 -1.26 -0.23 118.70 122.85 3cbn s GLU 98 Ca -0.06 -0.45 0.05 0.00 0.36 0.00 0.00 54.97 54.87 3cbn s GLU 98 Cb -0.00 -1.35 -0.01 0.00 0.26 0.00 0.00 34.13 33.03 3cbn s GLU 98 CO -0.00 0.11 -0.23 0.42 -0.54 0.00 0.00 175.26 175.02 3cbn s ILE 99 N 0.37 1.90 -0.13 -3.70 1.09 0.83 -4.94 121.20 116.62 3cbn s ILE 99 Ca -0.09 -0.97 0.00 0.00 -1.10 0.00 0.00 60.65 58.50 3cbn s ILE 99 Cb -0.13 -1.63 -0.01 0.00 -1.06 0.00 0.00 42.46 39.63 3cbn s ILE 99 CO 0.03 0.53 -0.15 -0.13 -0.10 0.00 0.00 174.94 175.12 3cbn s ARG 100 N 0.05 3.31 0.00 2.79 0.52 -1.26 -0.47 118.95 123.88 3cbn s ARG 100 Ca -0.08 -0.72 0.00 0.00 -0.52 0.00 0.00 55.73 54.40 3cbn s ARG 100 Cb -0.15 -2.59 0.00 0.00 0.52 0.00 0.00 34.95 32.73 3cbn s ARG 100 CO 0.05 0.16 0.00 0.41 0.02 0.00 0.00 175.30 175.94 3cbn n GLY 101 N 3.66 4.35 3.21 -3.53 0.00 0.12 -1.65 105.19 111.35 3cbn n GLY 101 Ca -0.18 -1.30 -0.15 0.00 0.00 0.00 0.00 46.02 44.39 3cbn n GLY 101 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3cbn s TYR 102 N -2.07 1.17 0.29 1.61 2.02 -0.53 -1.63 117.35 118.22 3cbn s TYR 102 Ca 0.00 -0.68 0.00 0.00 -0.37 0.00 0.00 57.07 56.02 3cbn s TYR 102 Cb 0.00 -0.62 0.06 0.00 -0.40 0.00 0.00 41.96 41.00 3cbn s TYR 102 CO 0.00 0.04 0.40 0.41 -1.57 0.00 0.00 175.55 174.84 3cbn n GLY 103 N 0.28 0.78 3.61 0.71 0.00 -0.25 -1.40 105.19 108.91 3cbn n GLY 103 Ca -0.14 -1.99 -0.14 0.00 0.00 0.00 0.00 46.02 43.75 3cbn n GLY 103 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3cbn s HIS 104 N -1.08 -0.67 0.63 1.61 2.46 -1.15 -4.71 115.29 112.37 3cbn s HIS 104 Ca 0.27 1.53 0.37 0.00 0.47 0.00 0.00 55.06 57.70 3cbn s HIS 104 Cb -0.02 0.33 2.10 0.00 -0.13 0.00 0.00 32.58 34.86 3cbn s HIS 104 CO 0.18 -0.39 2.30 -1.00 -2.47 0.00 0.00 174.74 173.35 3cbn h PRO 105 N 4.28 0.00 -0.24 2.88 0.13 -1.78 -2.61 132.00 134.66 3cbn h PRO 105 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 3cbn h PRO 105 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 3cbn h PRO 105 CO 0.15 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.31 3cbn n GLU 106 N -3.47 1.95 -2.37 0.86 1.02 -1.26 -4.66 120.64 112.72 3cbn n GLU 106 Ca -0.03 -1.43 -0.42 0.00 -0.02 0.00 0.00 57.16 55.26 3cbn n GLU 106 Cb 0.10 -1.42 -0.03 0.00 -0.02 0.00 0.00 31.44 30.07 3cbn n GLU 106 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3cbn s LEU 107 N -1.50 4.37 -0.00 -4.62 1.43 -0.99 -4.91 118.68 112.45 3cbn s LEU 107 Ca 0.33 2.08 0.22 0.00 -1.03 0.00 0.00 54.13 55.74 3cbn s LEU 107 Cb 0.18 -3.58 -0.27 0.00 0.03 0.00 0.00 46.19 42.55 3cbn s LEU 107 CO 0.27 -0.51 0.61 0.35 0.23 0.00 0.00 176.35 177.30 3cbn n THR 108 N 3.93 0.06 -4.15 5.49 -2.24 -1.26 -4.77 114.28 111.34 3cbn n THR 108 Ca 0.09 -0.42 -0.40 0.00 -2.27 0.00 0.00 64.05 61.05 3cbn n THR 108 Cb 0.45 0.12 -0.03 0.00 -2.10 0.00 0.00 70.33 68.77 3cbn n THR 108 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3cbn n LEU 109 N -2.18 -0.41 -0.01 3.22 4.32 -1.25 -4.86 117.00 115.83 3cbn n LEU 109 Ca -0.02 -1.26 0.00 0.00 -0.02 0.00 0.00 56.01 54.71 3cbn n LEU 109 Cb 0.53 -1.53 0.00 0.00 -1.62 0.00 0.00 43.42 40.80 3cbn n LEU 109 CO 0.45 0.68 0.37 -0.90 -1.22 0.00 0.00 177.39 176.77 3cbn n ASP 110 N -2.32 0.97 -4.76 -1.43 5.75 -1.03 -3.81 116.55 109.93 3cbn n ASP 110 Ca -0.19 -1.53 -0.41 0.00 -0.01 0.00 0.00 54.79 52.65 3cbn n ASP 110 Cb 0.59 -0.01 -0.02 0.00 -1.03 0.00 0.00 41.12 40.65 3cbn n ASP 110 CO 0.00 0.00 0.00 -2.28 -0.11 0.00 0.00 177.20 174.81 3cbn s HIS 111 N -0.53 3.01 -1.22 2.11 2.46 -0.89 -4.70 115.29 115.53 3cbn s HIS 111 Ca 0.01 1.22 0.25 0.00 0.47 0.00 0.00 55.06 57.00 3cbn s HIS 111 Cb 0.01 -3.76 1.15 0.00 -0.13 0.00 0.00 32.58 29.84 3cbn s HIS 111 CO 0.00 -2.30 1.81 -0.35 -2.47 0.00 0.00 174.74 171.43 3cbn n PRO 112 N 1.54 0.18 0.00 2.88 -0.04 -1.26 -2.74 135.00 135.56 3cbn n PRO 112 Ca 0.03 0.07 0.00 0.00 -0.04 0.00 0.00 63.50 63.56 3cbn n PRO 112 Cb 0.41 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.37 3cbn n PRO 112 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 3cbn n THR 113 N -1.39 0.00 -4.27 0.52 -2.24 -1.26 -4.80 114.28 100.83 3cbn n THR 113 Ca 0.09 0.00 -0.23 0.00 -2.27 0.00 0.00 64.05 61.64 3cbn n THR 113 Cb 0.24 -0.09 -0.07 0.00 -2.10 0.00 0.00 70.33 68.31 3cbn n THR 113 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3cbn s ASP 114 N -1.05 4.47 -0.08 3.42 1.01 -1.26 -1.25 116.67 121.93 3cbn s ASP 114 Ca 0.00 -0.74 -0.02 0.00 0.71 0.00 0.00 52.55 52.51 3cbn s ASP 114 Cb 0.00 -0.75 0.03 0.00 1.01 0.00 0.00 42.92 43.21 3cbn s ASP 114 CO 0.00 -0.09 0.03 -0.63 0.21 0.00 0.00 175.17 174.69 3cbn s ILE 115 N -2.38 0.22 -0.02 0.77 1.01 -0.66 -2.61 121.20 117.53 3cbn s ILE 115 Ca 0.33 0.15 0.06 0.00 0.00 0.00 0.00 60.65 61.19 3cbn s ILE 115 Cb -0.05 -0.46 -0.01 0.00 0.01 0.00 0.00 42.46 41.95 3cbn s ILE 115 CO 0.20 0.18 -0.20 -0.69 0.00 0.00 0.00 174.94 174.43 3cbn s VAL 116 N 2.03 1.59 -0.13 2.92 1.01 0.28 -1.58 120.40 126.51 3cbn s VAL 116 Ca 0.04 -0.85 0.01 0.00 0.00 0.00 0.00 61.98 61.19 3cbn s VAL 116 Cb -0.13 -1.33 -0.01 0.00 0.00 0.00 0.00 36.38 34.92 3cbn s VAL 116 CO -0.05 0.45 -0.16 0.00 0.00 0.00 0.00 175.10 175.34 3cbn s ARG 118 N 0.46 1.56 0.20 0.00 0.52 -1.26 -2.31 118.95 118.12 3cbn s ARG 118 Ca -0.11 -1.47 0.21 0.00 -0.52 0.00 0.00 55.73 53.84 3cbn s ARG 118 Cb -0.16 -1.89 0.01 0.00 0.52 0.00 0.00 34.95 33.42 3cbn s ARG 118 CO 0.05 0.41 1.07 0.87 0.02 0.00 0.00 175.30 177.72 3cbn h LYS 119 N 3.28 0.00 0.00 3.54 1.57 -1.34 0.84 116.57 124.46 3cbn h LYS 119 Ca -0.47 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.15 3cbn h LYS 119 Cb 1.20 0.00 0.04 0.00 0.08 0.00 0.00 32.23 33.55 3cbn h LYS 119 CO 0.47 0.08 0.08 -1.13 -0.57 0.00 0.00 179.45 178.38 3cbn n SER 120 N -2.78 0.30 -1.02 0.86 3.41 -1.26 -3.46 113.62 109.66 3cbn n SER 120 Ca -0.02 -1.31 0.08 0.00 -0.26 0.00 0.00 58.87 57.37 3cbn n SER 120 Cb 0.62 -0.28 0.26 0.00 -0.26 0.00 0.00 64.21 64.55 3cbn n SER 120 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3cbn n ASP 121 N -3.10 3.94 -4.75 4.04 5.75 -1.26 -1.07 116.55 120.10 3cbn n ASP 121 Ca 0.06 -2.68 -0.41 0.00 -0.01 0.00 0.00 54.79 51.74 3cbn n ASP 121 Cb 0.20 -0.49 -0.03 0.00 -1.03 0.00 0.00 41.12 39.78 3cbn n ASP 121 CO 0.00 0.00 0.00 -0.47 -0.11 0.00 0.00 177.20 176.62 3cbn s TYR 122 N -2.24 3.28 -0.03 2.11 5.04 -1.26 -5.02 117.35 119.23 3cbn s TYR 122 Ca 0.40 1.40 0.05 0.00 -2.44 0.00 0.00 57.07 56.48 3cbn s TYR 122 Cb 0.29 -3.54 -0.01 0.00 0.35 0.00 0.00 41.96 39.06 3cbn s TYR 122 CO 0.13 -1.52 -0.17 0.42 -1.34 0.00 0.00 175.55 173.08 3cbn s ILE 123 N -0.55 1.35 0.29 3.14 1.01 -1.26 -4.95 121.20 120.23 3cbn s ILE 123 Ca 0.51 -0.70 -0.04 0.00 0.00 0.00 0.00 60.65 60.43 3cbn s ILE 123 Cb -0.36 -1.14 -0.01 0.00 0.01 0.00 0.00 42.46 40.95 3cbn s ILE 123 CO 0.43 0.39 0.37 0.00 0.00 0.00 0.00 174.94 176.13 3cbn n SER 125 N -0.91 0.30 0.04 0.00 3.41 -1.26 -1.88 113.62 113.32 3cbn n SER 125 Ca 0.01 0.61 0.11 0.00 -0.26 0.00 0.00 58.87 59.34 3cbn n SER 125 Cb 0.63 -0.66 -0.02 0.00 -0.26 0.00 0.00 64.21 63.90 3cbn n SER 125 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3cbn n ARG 126 N -1.87 0.45 -2.19 4.33 1.74 -1.26 -2.10 116.66 115.77 3cbn n ARG 126 Ca 0.01 -0.00 -0.43 0.00 -0.77 0.00 0.00 57.85 56.66 3cbn n ARG 126 Cb 0.10 -1.65 -0.02 0.00 -1.02 0.00 0.00 32.46 29.86 3cbn n ARG 126 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3cbn s THR 127 N -3.31 3.88 -2.72 0.55 2.01 -0.79 -0.56 115.64 114.71 3cbn s THR 127 Ca 0.00 1.07 0.24 0.00 0.31 0.00 0.00 61.69 63.31 3cbn s THR 127 Cb 0.13 -3.69 0.16 0.00 0.01 0.00 0.00 72.50 69.11 3cbn s THR 127 CO 0.82 -0.09 1.25 -0.11 -0.69 0.00 0.00 174.62 175.79 3cbn n LEU 128 N 6.88 2.65 -3.69 4.42 7.94 0.01 -4.56 117.00 130.65 3cbn n LEU 128 Ca 0.16 -0.90 -0.10 0.00 -1.11 0.00 0.00 56.01 54.06 3cbn n LEU 128 Cb 0.44 -0.00 -0.03 0.00 0.53 0.00 0.00 43.42 44.35 3cbn n LEU 128 CO 0.60 0.45 0.30 0.27 -1.11 0.00 0.00 177.39 177.90 3cbn s ILE 130 N -2.12 0.02 -1.60 1.96 -4.36 -0.50 -4.79 121.20 109.81 3cbn s ILE 130 Ca 0.26 -0.65 -0.16 0.00 -0.26 0.00 0.00 60.65 59.84 3cbn s ILE 130 Cb 0.20 -1.49 0.12 0.00 1.25 0.00 0.00 42.46 42.54 3cbn s ILE 130 CO 0.37 -0.10 0.89 0.54 0.24 0.00 0.00 174.94 176.88 3cbn n ARG 131 N -0.35 -4.48 -1.60 0.37 1.74 -0.23 -1.45 116.66 110.66 3cbn n ARG 131 Ca -0.11 0.50 -0.34 0.00 -0.77 0.00 0.00 57.85 57.13 3cbn n ARG 131 Cb 0.63 -5.33 0.07 0.00 -1.02 0.00 0.00 32.46 26.81 3cbn n ARG 131 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3cbn s ALA 132 N -3.27 2.27 -0.72 7.54 0.00 0.22 -4.60 121.76 123.19 3cbn s ALA 132 Ca 0.70 0.82 0.25 0.00 0.00 0.00 0.00 51.96 53.73 3cbn s ALA 132 Cb -0.36 -3.43 0.52 0.00 0.00 0.00 0.00 23.12 19.84 3cbn s ALA 132 CO 0.86 -1.62 1.47 -0.40 0.00 0.00 0.00 175.76 176.06 3cbn n ASP 133 N -2.47 0.67 -3.98 0.00 5.75 -0.66 -4.53 116.55 111.33 3cbn n ASP 133 Ca 0.13 0.21 -0.10 0.00 -0.01 0.00 0.00 54.79 55.01 3cbn n ASP 133 Cb 0.51 -0.09 -0.12 0.00 -1.03 0.00 0.00 41.12 40.39 3cbn n ASP 133 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 3cbn s LYS 134 N -3.13 0.32 0.54 0.11 1.02 -1.26 -5.02 119.74 112.32 3cbn s LYS 134 Ca 0.08 -0.55 0.01 0.00 0.02 0.00 0.00 55.97 55.53 3cbn s LYS 134 Cb 0.14 -0.00 0.01 0.00 -0.52 0.00 0.00 37.83 37.46 3cbn s LYS 134 CO 0.68 -0.02 0.11 0.00 -0.92 0.00 0.00 175.35 175.21 3cbn n ALA 135 N 1.80 0.56 -0.24 5.17 0.00 -1.26 -4.82 120.51 121.72 3cbn n ALA 135 Ca -0.22 -2.34 0.03 0.00 0.00 0.00 0.00 53.44 50.91 3cbn n ALA 135 Cb 0.56 1.20 0.16 0.00 0.00 0.00 0.00 19.45 21.37 3cbn n ALA 135 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3cbn h ALA 136 N 1.11 0.99 -1.16 0.00 0.00 -1.20 -1.44 119.26 117.55 3cbn h ALA 136 Ca -0.42 0.10 0.33 0.00 0.00 0.00 0.00 54.91 54.92 3cbn h ALA 136 Cb 1.32 0.06 -0.06 0.00 0.00 0.00 0.00 17.79 19.11 3cbn h ALA 136 CO 0.68 -0.18 0.81 0.35 0.00 0.00 0.00 179.25 180.91 3cbn h PHE 137 N 0.46 0.19 -0.01 0.00 3.57 -0.71 -1.48 116.94 118.95 3cbn h PHE 137 Ca 0.38 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.89 3cbn h PHE 137 Cb 0.53 -0.05 0.00 0.00 2.79 0.00 0.00 35.95 39.22 3cbn h PHE 137 CO -0.16 0.01 -0.36 -0.25 -2.23 0.00 0.00 178.31 175.31 3cbn n ASP 138 N -4.31 1.30 -4.75 0.41 8.00 -0.55 -4.98 116.55 111.67 3cbn n ASP 138 Ca 0.26 -1.05 -0.35 0.00 0.71 0.00 0.00 54.79 54.36 3cbn n ASP 138 Cb 1.17 0.28 0.05 0.00 -0.02 0.00 0.00 41.12 42.60 3cbn n ASP 138 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3cbn s LEU 139 N -2.54 3.53 0.15 0.64 1.43 -0.56 -4.93 118.68 116.40 3cbn s LEU 139 Ca 0.21 2.31 -0.34 0.00 -1.03 0.00 0.00 54.13 55.29 3cbn s LEU 139 Cb 0.19 -4.59 -0.15 0.00 0.03 0.00 0.00 46.19 41.67 3cbn s LEU 139 CO 0.56 -1.78 1.40 -0.67 0.23 0.00 0.00 176.35 176.09 3cbn n ASP 140 N -2.02 2.23 0.02 2.29 2.03 -1.26 -4.87 116.55 114.97 3cbn n ASP 140 Ca 0.13 1.12 0.01 0.00 0.52 0.00 0.00 54.79 56.57 3cbn n ASP 140 Cb 0.50 -1.31 0.35 0.00 -0.72 0.00 0.00 41.12 39.94 3cbn n ASP 140 CO 0.00 0.00 0.00 1.05 -1.92 0.00 0.00 177.20 176.33 3cbn h GLU 141 N 4.72 0.48 -0.27 -0.67 4.11 -1.94 -1.60 114.58 119.41 3cbn h GLU 141 Ca -0.46 -0.08 -0.09 0.00 0.07 0.00 0.00 59.36 58.80 3cbn h GLU 141 Cb 1.30 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.46 3cbn h GLU 141 CO 0.80 0.47 -0.23 -0.91 0.07 0.00 0.00 179.01 179.21 3cbn h ASN 142 N 0.47 0.51 0.16 3.06 4.21 -1.90 -0.67 115.58 121.42 3cbn h ASN 142 Ca 0.11 -0.17 -0.01 0.00 1.21 0.00 0.00 56.30 57.44 3cbn h ASN 142 Cb 0.24 -0.14 0.00 0.00 -1.12 0.00 0.00 38.32 37.30 3cbn h ASN 142 CO 0.00 0.74 -0.08 0.25 -1.29 0.00 0.00 177.43 177.06 3cbn h LEU 143 N 0.45 -0.19 -1.20 1.61 5.85 -1.57 -2.53 115.31 117.73 3cbn h LEU 143 Ca 0.07 -0.24 0.04 0.00 0.84 0.00 0.00 57.88 58.59 3cbn h LEU 143 Cb 0.65 0.05 -0.05 0.00 0.37 0.00 0.00 40.66 41.68 3cbn h LEU 143 CO 0.05 0.15 0.55 0.58 -0.34 0.00 0.00 178.44 179.43 3cbn h VAL 144 N -0.54 1.12 -0.41 1.05 2.07 -1.21 -1.15 116.25 117.17 3cbn h VAL 144 Ca -0.02 -0.35 0.00 0.00 0.82 0.00 0.00 66.70 67.15 3cbn h VAL 144 Cb 0.41 0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.17 3cbn h VAL 144 CO 0.04 0.19 0.26 0.03 0.02 0.00 0.00 177.57 178.10 3cbn h ARG 145 N 1.02 0.55 -0.65 1.57 3.08 -1.03 -0.38 114.38 118.53 3cbn h ARG 145 Ca 0.34 -0.04 -0.08 0.00 0.07 0.00 0.00 59.98 60.27 3cbn h ARG 145 Cb 0.08 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 29.98 3cbn h ARG 145 CO -0.11 0.39 0.11 -0.44 -1.07 0.00 0.00 179.97 178.86 3cbn h ASP 146 N 0.55 1.04 -0.64 7.04 3.32 -0.94 -2.86 116.42 123.93 3cbn h ASP 146 Ca 0.15 -0.26 -0.06 0.00 0.02 0.00 0.00 57.03 56.88 3cbn h ASP 146 Cb -0.02 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.22 3cbn h ASP 146 CO -0.03 1.03 0.18 -0.07 -1.72 0.00 0.00 179.24 178.63 3cbn h LEU 147 N 1.00 0.96 -1.52 1.55 3.38 -0.89 -1.50 115.31 118.30 3cbn h LEU 147 Ca 0.20 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3cbn h LEU 147 Cb 0.43 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.93 3cbn h LEU 147 CO 0.01 0.92 0.00 0.03 0.09 0.00 0.00 178.44 179.49 3cbn h ARG 148 N 0.99 0.00 -0.33 1.13 3.08 -0.89 0.10 114.38 118.46 3cbn h ARG 148 Ca 0.21 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.26 3cbn h ARG 148 Cb 0.32 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.37 3cbn h ARG 148 CO -0.00 0.00 0.00 1.63 -1.07 0.00 0.00 179.97 180.53 3cbn n LYS 149 N -2.74 2.11 -1.19 0.04 5.02 -0.62 -3.96 118.16 116.82 3cbn n LYS 149 Ca 0.00 -1.68 -0.06 0.00 -2.02 0.00 0.00 58.31 54.55 3cbn n LYS 149 Cb 0.21 -1.43 -0.03 0.00 -0.02 0.00 0.00 35.03 33.76 3cbn n LYS 149 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3cbn n GLY 150 N 1.30 0.87 3.80 0.72 0.00 -0.01 -4.95 105.19 106.92 3cbn n GLY 150 Ca 0.17 -0.60 -0.31 0.00 0.00 0.00 0.00 46.02 45.29 3cbn n GLY 150 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3cbn s ARG 151 N -2.36 2.54 0.54 1.61 0.52 -0.85 -3.83 118.95 117.12 3cbn s ARG 151 Ca 0.00 0.95 -0.21 0.00 -0.52 0.00 0.00 55.73 55.95 3cbn s ARG 151 Cb 0.00 -1.94 -0.05 0.00 0.52 0.00 0.00 34.95 33.48 3cbn s ARG 151 CO 0.00 -1.38 1.30 -1.21 0.02 0.00 0.00 175.30 174.03 3cbn s GLU 152 N -5.02 3.18 -0.07 3.54 8.01 -1.26 -0.30 118.70 126.77 3cbn s GLU 152 Ca 0.60 2.10 0.03 0.00 0.01 0.00 0.00 54.97 57.70 3cbn s GLU 152 Cb -0.15 -2.21 0.01 0.00 -4.31 0.00 0.00 34.13 27.47 3cbn s GLU 152 CO 0.55 -1.12 -0.15 -1.17 0.01 0.00 0.00 175.26 173.38 3cbn s LEU 153 N -3.57 1.76 -0.21 1.80 2.96 0.12 -4.51 118.68 117.03 3cbn s LEU 153 Ca 0.72 -0.36 -0.06 0.00 -0.22 0.00 0.00 54.13 54.21 3cbn s LEU 153 Cb -0.37 -0.97 -0.03 0.00 0.50 0.00 0.00 46.19 45.33 3cbn s LEU 153 CO 0.43 0.07 0.03 -0.54 -1.32 0.00 0.00 176.35 175.03 3cbn s LYS 154 N 0.55 3.70 -0.24 1.98 -0.14 0.15 -1.33 119.74 124.41 3cbn s LYS 154 Ca -0.15 -0.47 -0.00 0.00 -1.36 0.00 0.00 55.97 53.98 3cbn s LYS 154 Cb -0.16 -3.18 0.03 0.00 -1.68 0.00 0.00 37.83 32.83 3cbn s LYS 154 CO 0.05 -0.00 -0.10 0.08 -0.76 0.00 0.00 175.35 174.62 3cbn s VAL 155 N 1.08 2.61 -0.14 3.17 1.01 -0.24 -1.60 120.40 126.30 3cbn s VAL 155 Ca 0.03 -1.09 -0.03 0.00 0.00 0.00 0.00 61.98 60.89 3cbn s VAL 155 Cb -0.14 -2.31 -0.03 0.00 0.00 0.00 0.00 36.38 33.90 3cbn s VAL 155 CO 0.02 0.24 -0.03 -0.70 0.00 0.00 0.00 175.10 174.63 3cbn s GLU 156 N 1.29 3.50 -0.17 2.72 2.12 -0.61 -0.70 118.70 126.85 3cbn s GLU 156 Ca -0.00 -0.50 -0.02 0.00 0.36 0.00 0.00 54.97 54.80 3cbn s GLU 156 Cb -0.16 -2.87 -0.01 0.00 0.26 0.00 0.00 34.13 31.34 3cbn s GLU 156 CO -0.06 0.35 -0.08 0.42 -0.54 0.00 0.00 175.26 175.35 3cbn s ILE 157 N 0.07 3.34 -0.12 -3.70 1.01 0.73 -0.92 121.20 121.62 3cbn s ILE 157 Ca 0.00 -0.54 0.02 0.00 0.00 0.00 0.00 60.65 60.13 3cbn s ILE 157 Cb -0.13 -2.46 0.01 0.00 0.01 0.00 0.00 42.46 39.89 3cbn s ILE 157 CO 0.03 0.48 -0.18 -0.63 0.00 0.00 0.00 174.94 174.64 3cbn s ILE 158 N 0.77 1.70 -0.11 2.92 1.01 0.91 -1.59 121.20 126.81 3cbn s ILE 158 Ca -0.03 -0.76 0.03 0.00 0.00 0.00 0.00 60.65 59.88 3cbn s ILE 158 Cb -0.15 -1.53 0.01 0.00 0.01 0.00 0.00 42.46 40.80 3cbn s ILE 158 CO 0.02 0.48 -0.19 -0.69 0.00 0.00 0.00 174.94 174.55 3cbn s VAL 159 N 0.94 1.78 -0.14 2.92 1.01 -0.40 0.14 120.40 126.64 3cbn s VAL 159 Ca -0.06 -0.83 -0.01 0.00 0.00 0.00 0.00 61.98 61.08 3cbn s VAL 159 Cb -0.15 -1.58 -0.01 0.00 0.00 0.00 0.00 36.38 34.64 3cbn s VAL 159 CO -0.02 0.50 -0.11 -0.70 0.00 0.00 0.00 175.10 174.77 3cbn s GLU 160 N 0.72 3.41 0.18 2.72 2.12 -0.70 -0.99 118.70 126.16 3cbn s GLU 160 Ca -0.11 -0.66 -0.10 0.00 0.36 0.00 0.00 54.97 54.46 3cbn s GLU 160 Cb -0.16 -2.71 -0.01 0.00 0.26 0.00 0.00 34.13 31.51 3cbn s GLU 160 CO 0.02 0.16 0.33 1.52 -0.54 0.00 0.00 175.26 176.75 3cbn s TYR 161 N 0.50 0.38 -0.09 5.30 -0.85 -0.55 -0.87 117.35 121.17 3cbn s TYR 161 Ca -0.08 -0.73 -0.20 0.00 -0.52 0.00 0.00 57.07 55.54 3cbn s TYR 161 Cb -0.15 0.00 -0.04 0.00 0.38 0.00 0.00 41.96 42.15 3cbn s TYR 161 CO 0.04 -0.78 0.56 -1.21 -1.52 0.00 0.00 175.55 172.63 3cbn s GLU 162 N -3.98 4.36 0.23 -3.49 0.41 -1.26 -0.23 118.70 114.74 3cbn s GLU 162 Ca 0.18 0.62 -0.08 0.00 -0.41 0.00 0.00 54.97 55.28 3cbn s GLU 162 Cb 0.02 -3.43 0.26 0.00 -1.78 0.00 0.00 34.13 29.20 3cbn s GLU 162 CO 0.02 0.16 1.86 0.78 -0.49 0.00 0.00 175.26 177.59 3cbn h GLY 163 N 6.58 1.19 -6.31 -1.39 0.00 -1.96 -3.42 103.07 97.76 3cbn h GLY 163 Ca -0.42 -0.39 -0.60 0.00 0.00 0.00 0.00 47.33 45.92 3cbn h GLY 163 CO 0.75 0.32 -0.47 0.30 0.00 0.00 0.00 176.54 177.43 3cbn s HIS 164 N -6.10 3.41 0.00 5.60 3.76 -1.26 -5.13 115.29 115.57 3cbn s HIS 164 Ca -0.13 0.35 0.00 0.00 -0.15 0.00 0.00 55.06 55.13 3cbn s HIS 164 Cb 0.17 -2.19 0.00 0.00 1.11 0.00 0.00 32.58 31.67 3cbn s HIS 164 CO 0.79 0.26 0.00 -2.39 -0.85 0.00 0.00 174.74 172.55