#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bbn s THR 2 N 0.00 3.13 0.00 1.12 2.01 -1.26 -4.97 115.64 115.68 3bbn s THR 2 Ca 0.00 0.15 0.00 0.00 0.31 0.00 0.00 61.69 62.15 3bbn s THR 2 Cb 0.00 -3.15 0.00 0.00 0.01 0.00 0.00 72.50 69.36 3bbn s THR 2 CO 0.00 -0.07 0.00 -2.11 -0.69 0.00 0.00 174.62 171.75 3bbn n ARG 3 N 8.27 0.33 -3.14 4.92 -4.01 -1.26 -5.00 116.66 116.76 3bbn n ARG 3 Ca 0.25 0.00 -0.31 0.00 -1.04 0.00 0.00 57.85 56.75 3bbn n ARG 3 Cb 0.44 0.00 -0.04 0.00 -3.04 0.00 0.00 32.46 29.82 3bbn n ARG 3 CO 0.00 0.00 0.00 -1.13 -3.04 0.00 0.00 177.63 173.46 3bbn n SER 4 N 0.00 4.80 -4.42 2.89 3.41 -1.26 -5.04 113.62 113.99 3bbn n SER 4 Ca 0.00 -3.54 -0.33 0.00 -0.26 0.00 0.00 58.87 54.74 3bbn n SER 4 Cb 0.00 -0.79 -0.13 0.00 -0.26 0.00 0.00 64.21 63.02 3bbn n SER 4 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 3bbn s LEU 5 N -3.01 2.95 0.00 1.04 0.20 -1.26 -5.02 118.68 113.58 3bbn s LEU 5 Ca 0.41 -0.25 0.00 0.00 0.69 0.00 0.00 54.13 54.98 3bbn s LEU 5 Cb 0.17 -1.69 0.00 0.00 -0.43 0.00 0.00 46.19 44.25 3bbn s LEU 5 CO -0.04 0.16 0.00 2.29 -0.29 0.00 0.00 176.35 178.47 3bbn n LYS 6 N 3.57 0.00 0.00 1.98 0.00 -1.26 -5.03 118.16 117.43 3bbn n LYS 6 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.13 3bbn n LYS 6 Cb 0.53 -0.04 0.00 0.00 -0.00 0.00 0.00 35.03 35.52 3bbn n LYS 6 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 3bbn n LYS 7 N -1.47 0.03 -3.26 -1.58 3.00 -1.26 -5.01 118.16 108.61 3bbn n LYS 7 Ca 0.00 0.00 -0.43 0.00 -0.00 0.00 0.00 58.31 57.88 3bbn n LYS 7 Cb 0.00 -0.51 -0.08 0.00 0.00 0.00 0.00 35.03 34.44 3bbn n LYS 7 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.40 176.60 3bbn s ASN 8 N -2.20 6.23 0.53 3.14 -0.87 -1.26 -4.95 114.94 115.56 3bbn s ASN 8 Ca 0.00 -0.57 0.31 0.00 -1.57 0.00 0.00 52.86 51.04 3bbn s ASN 8 Cb 0.00 -2.25 1.16 0.00 -0.02 0.00 0.00 41.25 40.14 3bbn s ASN 8 CO 0.00 -0.63 1.91 -0.65 -2.57 0.00 0.00 177.10 175.16 3bbn h PRO 9 N 8.76 0.00 -4.44 -0.60 0.11 -1.95 -3.47 132.00 130.41 3bbn h PRO 9 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 3bbn h PRO 9 Cb 1.11 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.17 3bbn h PRO 9 CO 0.82 0.01 -0.90 0.34 -0.21 0.00 0.00 178.00 178.05 3bbn n PHE 10 N -3.10 -2.98 -4.74 0.65 7.35 -1.26 -4.57 117.46 108.81 3bbn n PHE 10 Ca 0.01 1.53 -0.30 0.00 -0.76 0.00 0.00 57.45 57.94 3bbn n PHE 10 Cb 0.35 -3.24 -0.17 0.00 0.35 0.00 0.00 39.48 36.78 3bbn n PHE 10 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 3bbn s VAL 11 N -0.82 1.71 0.62 -2.13 0.11 -1.26 -2.40 120.40 116.23 3bbn s VAL 11 Ca -0.10 -0.79 -0.19 0.00 -2.93 0.00 0.00 61.98 57.97 3bbn s VAL 11 Cb 0.01 -1.52 -0.02 0.00 -1.53 0.00 0.00 36.38 33.32 3bbn s VAL 11 CO 0.55 0.48 1.32 0.00 -3.33 0.00 0.00 175.10 174.13 3bbn n ALA 12 N 3.91 1.30 0.18 1.54 0.00 -1.26 -4.95 120.51 121.24 3bbn n ALA 12 Ca -0.20 0.04 0.03 0.00 0.00 0.00 0.00 53.44 53.31 3bbn n ALA 12 Cb 0.52 -2.34 0.32 0.00 0.00 0.00 0.00 19.45 17.95 3bbn n ALA 12 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 3bbn h ASN 13 N 0.81 0.00 0.05 0.00 2.35 -2.00 -2.76 115.58 114.03 3bbn h ASN 13 Ca -0.51 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.24 3bbn h ASN 13 Cb 1.33 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.70 3bbn h ASN 13 CO 0.54 0.43 -0.01 0.00 -1.65 0.00 0.00 177.43 176.74 3bbn n HIS 14 N -3.88 0.00 -0.10 1.19 1.44 -1.26 -2.85 115.22 109.76 3bbn n HIS 14 Ca -0.01 0.00 -0.14 0.00 -2.01 0.00 0.00 57.72 55.55 3bbn n HIS 14 Cb 0.47 -0.03 -0.05 0.00 0.12 0.00 0.00 29.99 30.50 3bbn n HIS 14 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 3bbn n LEU 15 N -0.62 1.90 0.02 2.39 7.99 -1.05 -4.34 117.00 123.29 3bbn n LEU 15 Ca 0.21 0.42 -0.09 0.00 -0.01 0.00 0.00 56.01 56.54 3bbn n LEU 15 Cb 0.21 -0.82 0.06 0.00 -0.11 0.00 0.00 43.42 42.76 3bbn n LEU 15 CO 0.18 -0.06 0.46 0.25 -1.51 0.00 0.00 177.39 176.71 3bbn h LEU 16 N -1.00 0.57 -1.06 2.23 5.85 -1.66 -3.04 115.31 117.20 3bbn h LEU 16 Ca -0.21 -0.32 -0.06 0.00 0.84 0.00 0.00 57.88 58.13 3bbn h LEU 16 Cb 1.06 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.90 3bbn h LEU 16 CO -0.13 1.03 0.02 -0.09 -0.34 0.00 0.00 178.44 178.93 3bbn h ARG 17 N 0.38 0.69 0.00 1.25 2.43 -1.79 0.11 114.38 117.45 3bbn h ARG 17 Ca -0.00 -0.16 -0.03 0.00 -0.81 0.00 0.00 59.98 58.98 3bbn h ARG 17 Cb 1.13 -0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 30.59 3bbn h ARG 17 CO 0.11 0.69 -0.13 0.87 -1.51 0.00 0.00 179.97 180.00 3bbn h LYS 18 N 0.65 0.00 0.00 0.20 1.57 -1.75 -2.94 116.57 114.30 3bbn h LYS 18 Ca 0.14 0.00 -0.29 0.00 -1.87 0.00 0.00 60.65 58.62 3bbn h LYS 18 Cb 0.38 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.64 3bbn h LYS 18 CO 0.01 0.13 -1.73 -0.89 -0.57 0.00 0.00 179.45 176.41 3bbn n ILE 19 N -3.14 1.61 0.38 1.86 5.41 -0.96 -3.53 119.36 121.00 3bbn n ILE 19 Ca 0.03 -0.79 0.13 0.00 1.00 0.00 0.00 62.75 63.12 3bbn n ILE 19 Cb 0.57 -1.06 0.37 0.00 -0.71 0.00 0.00 39.64 38.81 3bbn n ILE 19 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 3bbn h GLU 20 N 0.00 0.00 0.00 0.38 4.39 -0.84 -0.61 114.58 117.90 3bbn h GLU 20 Ca -0.29 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.37 3bbn h GLU 20 Cb 2.02 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 30.66 3bbn h GLU 20 CO 0.08 0.00 -0.63 -0.22 -1.16 0.00 0.00 179.01 177.08 3bbn h LYS 21 N 0.00 0.00 -0.00 2.33 3.64 -1.64 -3.26 116.57 117.65 3bbn h LYS 21 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3bbn h LYS 21 Cb 0.76 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.58 3bbn h LYS 21 CO 0.00 0.13 -0.92 1.28 -2.27 0.00 0.00 179.45 177.67 3bbn n LEU 22 N -2.95 1.06 -1.89 5.20 4.32 -0.98 -4.24 117.00 117.52 3bbn n LEU 22 Ca 0.00 -0.49 0.01 0.00 -0.02 0.00 0.00 56.01 55.51 3bbn n LEU 22 Cb 0.62 -0.02 0.34 0.00 -1.62 0.00 0.00 43.42 42.74 3bbn n LEU 22 CO 0.38 0.25 0.92 -3.20 -1.22 0.00 0.00 177.39 174.53 3bbn n ASN 23 N -1.36 5.13 -0.04 -1.43 5.15 -0.27 -3.21 115.26 119.23 3bbn n ASN 23 Ca 0.05 -3.01 -0.14 0.00 -0.60 0.00 0.00 54.58 50.88 3bbn n ASN 23 Cb 0.34 -0.71 -0.11 0.00 -0.53 0.00 0.00 39.78 38.77 3bbn n ASN 23 CO 0.00 0.00 0.00 0.07 1.40 0.00 0.00 177.26 178.73 3bbn h LYS 24 N 3.20 0.04 0.00 1.20 2.10 -1.74 -3.41 116.57 117.97 3bbn h LYS 24 Ca 0.12 -0.04 0.00 0.00 -2.00 0.00 0.00 60.65 58.73 3bbn h LYS 24 Cb 2.08 0.01 0.00 0.00 -0.90 0.00 0.00 32.23 33.42 3bbn h LYS 24 CO 0.59 0.77 -0.36 1.63 -2.00 0.00 0.00 179.45 180.08 3bbn n LYS 25 N -4.69 0.00 -2.70 0.07 4.76 -1.26 -5.10 118.16 109.24 3bbn n LYS 25 Ca -0.09 -0.77 -0.02 0.00 -2.87 0.00 0.00 58.31 54.56 3bbn n LYS 25 Cb 0.39 -0.41 -0.02 0.00 -1.84 0.00 0.00 35.03 33.15 3bbn n LYS 25 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3bbn n ALA 26 N 0.00 -3.47 -2.97 7.82 0.00 -1.23 -5.11 120.51 115.55 3bbn n ALA 26 Ca 0.00 1.27 -0.10 0.00 0.00 0.00 0.00 53.44 54.61 3bbn n ALA 26 Cb 0.64 -2.53 -0.05 0.00 0.00 0.00 0.00 19.45 17.51 3bbn n ALA 26 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 3bbn s GLU 27 N -1.18 1.04 0.28 0.00 1.03 -1.20 -5.08 118.70 113.59 3bbn s GLU 27 Ca -0.12 -0.70 0.00 0.00 0.03 0.00 0.00 54.97 54.18 3bbn s GLU 27 Cb 0.01 0.45 0.00 0.00 -0.80 0.00 0.00 34.13 33.79 3bbn s GLU 27 CO 0.74 -0.40 0.00 1.63 -1.33 0.00 0.00 175.26 175.91 3bbn n LYS 28 N -0.15 -5.57 -0.10 -4.83 5.02 -1.26 -4.85 118.16 106.42 3bbn n LYS 28 Ca -0.16 3.96 -0.16 0.00 -2.02 0.00 0.00 58.31 59.92 3bbn n LYS 28 Cb 0.63 -4.32 -0.09 0.00 -0.02 0.00 0.00 35.03 31.23 3bbn n LYS 28 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3bbn n GLU 29 N 1.44 0.51 -2.22 1.97 1.02 -1.26 -4.96 120.64 117.13 3bbn n GLU 29 Ca 0.00 0.13 -0.43 0.00 -0.02 0.00 0.00 57.16 56.85 3bbn n GLU 29 Cb 0.00 -1.39 -0.02 0.00 -0.02 0.00 0.00 31.44 30.01 3bbn n GLU 29 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3bbn s ILE 30 N -2.41 3.93 -0.04 -3.67 -1.09 -1.26 -2.73 121.20 113.93 3bbn s ILE 30 Ca -0.28 1.10 -0.02 0.00 -2.23 0.00 0.00 60.65 59.22 3bbn s ILE 30 Cb 0.08 -3.77 0.03 0.00 -1.58 0.00 0.00 42.46 37.22 3bbn s ILE 30 CO 0.46 -0.16 0.09 -0.51 -1.23 0.00 0.00 174.94 173.59 3bbn s ILE 31 N 4.03 -0.04 0.01 2.92 2.07 -1.20 -5.06 121.20 123.93 3bbn s ILE 31 Ca 0.64 0.14 -0.19 0.00 -1.41 0.00 0.00 60.65 59.84 3bbn s ILE 31 Cb -0.26 -0.15 -0.06 0.00 0.13 0.00 0.00 42.46 42.12 3bbn s ILE 31 CO 0.23 0.06 0.53 -0.69 -1.91 0.00 0.00 174.94 173.16 3bbn s VAL 32 N 0.82 4.92 0.01 4.00 1.01 -1.26 -1.49 120.40 128.40 3bbn s VAL 32 Ca -0.06 1.11 0.01 0.00 0.00 0.00 0.00 61.98 63.03 3bbn s VAL 32 Cb -0.09 -3.86 -0.01 0.00 0.00 0.00 0.00 36.38 32.43 3bbn s VAL 32 CO -0.03 0.49 -0.03 -0.89 0.00 0.00 0.00 175.10 174.63 3bbn s THR 33 N -0.58 0.22 -0.08 3.92 2.01 -0.38 -4.95 115.64 115.80 3bbn s THR 33 Ca 0.28 -0.40 0.05 0.00 0.31 0.00 0.00 61.69 61.93 3bbn s THR 33 Cb -0.18 -0.24 -0.09 0.00 0.01 0.00 0.00 72.50 72.00 3bbn s THR 33 CO 0.16 -0.12 -0.01 0.79 -0.69 0.00 0.00 174.62 174.75 3bbn n TRP 34 N 2.52 0.00 -2.63 4.92 8.01 -1.26 -2.71 117.44 126.29 3bbn n TRP 34 Ca -0.16 0.00 -0.43 0.00 -1.31 0.00 0.00 57.50 55.60 3bbn n TRP 34 Cb 0.58 -0.38 -0.02 0.00 -2.01 0.00 0.00 31.31 29.48 3bbn n TRP 34 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.69 175.56 3bbn s SER 35 N -4.25 6.84 0.00 -0.99 0.01 -1.26 -4.68 113.70 109.37 3bbn s SER 35 Ca -0.07 0.87 0.22 0.00 1.31 0.00 0.00 55.95 58.28 3bbn s SER 35 Cb 0.03 -2.54 0.33 0.00 0.21 0.00 0.00 66.02 64.04 3bbn s SER 35 CO 0.29 -0.99 1.31 -2.11 0.41 0.00 0.00 173.24 172.15 3bbn n ARG 36 N 7.15 2.31 0.00 12.44 1.85 -1.26 -4.22 116.66 134.92 3bbn n ARG 36 Ca 0.12 -2.09 0.13 0.00 -1.00 0.00 0.00 57.85 55.01 3bbn n ARG 36 Cb 0.48 -1.46 0.37 0.00 -1.05 0.00 0.00 32.46 30.79 3bbn n ARG 36 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3bbn n ALA 37 N 1.34 2.75 -1.94 2.89 0.00 -1.26 -3.85 120.51 120.44 3bbn n ALA 37 Ca 0.16 -0.50 -0.33 0.00 0.00 0.00 0.00 53.44 52.78 3bbn n ALA 37 Cb 0.57 -1.06 -0.07 0.00 0.00 0.00 0.00 19.45 18.89 3bbn n ALA 37 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3bbn s SER 38 N -2.16 6.90 0.19 0.00 1.04 -1.26 -4.86 113.70 113.54 3bbn s SER 38 Ca 0.31 1.54 -0.02 0.00 0.48 0.00 0.00 55.95 58.26 3bbn s SER 38 Cb 0.20 -2.48 -0.05 0.00 0.10 0.00 0.00 66.02 63.80 3bbn s SER 38 CO 0.39 -0.28 0.39 -0.89 0.98 0.00 0.00 173.24 173.83 3bbn s THR 39 N -2.07 5.19 -0.23 2.02 2.01 -1.01 -4.36 115.64 117.18 3bbn s THR 39 Ca 0.58 -0.22 -0.23 0.00 0.31 0.00 0.00 61.69 62.13 3bbn s THR 39 Cb -0.10 -3.70 -0.01 0.00 0.01 0.00 0.00 72.50 68.70 3bbn s THR 39 CO 0.15 -0.11 0.77 -0.63 -0.69 0.00 0.00 174.62 174.10 3bbn s ILE 40 N -1.81 4.90 -0.14 1.82 1.01 -1.11 -4.80 121.20 121.07 3bbn s ILE 40 Ca 0.39 1.45 -0.07 0.00 0.00 0.00 0.00 60.65 62.43 3bbn s ILE 40 Cb -0.11 -4.06 -0.04 0.00 0.01 0.00 0.00 42.46 38.25 3bbn s ILE 40 CO 0.28 -0.01 0.09 -0.51 0.00 0.00 0.00 174.94 174.78 3bbn s ILE 41 N 2.54 5.06 -0.28 2.92 2.07 -1.26 -4.62 121.20 127.63 3bbn s ILE 41 Ca 0.33 0.05 0.00 0.00 -1.41 0.00 0.00 60.65 59.62 3bbn s ILE 41 Cb -0.16 -3.23 0.00 0.00 0.13 0.00 0.00 42.46 39.21 3bbn s ILE 41 CO 0.09 0.55 0.41 -2.65 -1.91 0.00 0.00 174.94 171.42 3bbn n PRO 42 N 2.68 0.00 0.00 3.50 -0.02 -1.26 -1.51 135.00 138.39 3bbn n PRO 42 Ca -0.18 0.06 0.13 0.00 -2.02 0.00 0.00 63.50 61.50 3bbn n PRO 42 Cb 0.53 -1.74 0.43 0.00 -0.02 0.00 0.00 33.50 32.70 3bbn n PRO 42 CO 0.00 0.00 0.00 -2.37 1.98 0.00 0.00 175.50 175.11 3bbn n THR 43 N -0.91 0.00 1.09 3.45 5.66 -1.26 -3.99 114.28 118.33 3bbn n THR 43 Ca 0.00 -0.26 0.04 0.00 -3.05 0.00 0.00 64.05 60.78 3bbn n THR 43 Cb 0.24 0.63 0.12 0.00 -1.55 0.00 0.00 70.33 69.77 3bbn n THR 43 CO 0.00 0.00 0.00 0.23 -3.05 0.00 0.00 175.07 172.25 3bbn n MET 44 N 0.17 1.68 -1.99 1.09 2.81 -0.57 -4.92 117.12 115.40 3bbn n MET 44 Ca 0.17 -0.93 -0.42 0.00 -1.81 0.00 0.00 57.70 54.71 3bbn n MET 44 Cb 0.39 -1.27 -0.03 0.00 -0.71 0.00 0.00 33.22 31.60 3bbn n MET 44 CO 0.00 0.00 0.00 -1.50 1.51 0.00 0.00 175.97 175.98 3bbn s ILE 45 N -1.65 3.44 0.00 2.02 1.10 -1.26 -2.75 121.20 122.10 3bbn s ILE 45 Ca 0.17 0.65 0.00 0.00 -0.51 0.00 0.00 60.65 60.96 3bbn s ILE 45 Cb 0.09 -3.42 0.00 0.00 0.15 0.00 0.00 42.46 39.29 3bbn s ILE 45 CO 0.11 -0.04 0.00 0.61 -2.11 0.00 0.00 174.94 173.51 3bbn n GLY 46 N 4.08 2.12 3.67 1.50 0.00 -1.17 -5.03 105.19 110.36 3bbn n GLY 46 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 3bbn n GLY 46 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3bbn s HIS 47 N -2.34 3.40 -0.59 1.61 3.76 -1.11 -4.93 115.29 115.09 3bbn s HIS 47 Ca 0.00 0.89 -0.25 0.00 -0.15 0.00 0.00 55.06 55.55 3bbn s HIS 47 Cb 0.00 -2.73 0.04 0.00 1.11 0.00 0.00 32.58 31.00 3bbn s HIS 47 CO 0.00 -0.10 1.01 0.95 -0.85 0.00 0.00 174.74 175.76 3bbn s THR 48 N 1.62 4.26 -0.26 1.30 -4.23 -1.10 -3.97 115.64 113.26 3bbn s THR 48 Ca 0.27 0.26 -0.18 0.00 -1.18 0.00 0.00 61.69 60.87 3bbn s THR 48 Cb -0.16 -4.63 -0.03 0.00 1.34 0.00 0.00 72.50 69.02 3bbn s THR 48 CO 0.11 -1.29 0.52 -0.63 -0.54 0.00 0.00 174.62 172.79 3bbn s ILE 49 N 4.29 5.07 -0.53 2.99 1.01 -1.00 -3.25 121.20 129.78 3bbn s ILE 49 Ca 0.31 0.89 -0.20 0.00 0.00 0.00 0.00 60.65 61.65 3bbn s ILE 49 Cb -0.12 -3.83 0.06 0.00 0.01 0.00 0.00 42.46 38.58 3bbn s ILE 49 CO 0.18 0.09 0.71 0.00 0.00 0.00 0.00 174.94 175.91 3bbn s ALA 50 N 2.30 3.34 -0.12 9.38 0.00 -0.56 -2.97 121.76 133.13 3bbn s ALA 50 Ca 0.21 -1.72 -0.07 0.00 0.00 0.00 0.00 51.96 50.39 3bbn s ALA 50 Cb -0.16 -3.46 -0.04 0.00 0.00 0.00 0.00 23.12 19.46 3bbn s ALA 50 CO 0.09 -2.15 0.13 -1.50 0.00 0.00 0.00 175.76 172.33 3bbn s ILE 51 N 2.94 5.42 0.36 0.00 1.10 -1.20 -1.25 121.20 128.57 3bbn s ILE 51 Ca 0.18 0.18 -0.24 0.00 -0.51 0.00 0.00 60.65 60.25 3bbn s ILE 51 Cb -0.19 -3.36 -0.10 0.00 0.15 0.00 0.00 42.46 38.96 3bbn s ILE 51 CO 0.12 0.62 0.95 -2.28 -2.11 0.00 0.00 174.94 172.24 3bbn s HIS 52 N -1.01 3.54 0.00 3.50 5.65 -1.10 -2.45 115.29 123.42 3bbn s HIS 52 Ca 0.15 1.72 0.00 0.00 0.25 0.00 0.00 55.06 57.18 3bbn s HIS 52 Cb -0.12 -2.90 0.00 0.00 -1.18 0.00 0.00 32.58 28.38 3bbn s HIS 52 CO 0.04 0.07 0.29 0.27 -0.65 0.00 0.00 174.74 174.76 3bbn n ASN 53 N 0.10 0.40 0.00 9.88 6.94 -1.21 -4.90 115.26 126.47 3bbn n ASN 53 Ca 0.04 -1.08 0.00 0.00 -0.02 0.00 0.00 54.58 53.52 3bbn n ASN 53 Cb 0.51 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.93 3bbn n ASN 53 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3bbn n GLY 54 N -0.04 2.75 0.00 4.83 0.00 -1.26 -4.85 105.19 106.62 3bbn n GLY 54 Ca 0.00 -0.93 -0.00 0.00 0.00 0.00 0.00 46.02 45.09 3bbn n GLY 54 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3bbn h ARG 55 N 0.00 0.00 0.00 1.61 1.12 -1.95 -3.51 114.38 111.65 3bbn h ARG 55 Ca 0.00 0.00 -0.12 0.00 -1.11 0.00 0.00 59.98 58.75 3bbn h ARG 55 Cb 0.00 0.00 -0.03 0.00 -0.01 0.00 0.00 29.97 29.93 3bbn h ARG 55 CO 0.00 0.00 -0.07 -0.85 -3.11 0.00 0.00 179.97 175.94 3bbn n GLU 56 N -2.24 0.27 -3.55 0.20 0.28 -1.26 -5.15 120.64 109.18 3bbn n GLU 56 Ca -0.00 -1.11 -0.38 0.00 -0.16 0.00 0.00 57.16 55.51 3bbn n GLU 56 Cb 0.01 1.06 -0.10 0.00 1.43 0.00 0.00 31.44 33.83 3bbn n GLU 56 CO 0.00 0.00 0.00 -1.01 -0.16 0.00 0.00 177.13 175.96 3bbn s HIS 57 N -4.07 3.25 -0.29 -1.84 3.76 -1.26 -3.35 115.29 111.48 3bbn s HIS 57 Ca 0.12 0.22 -0.11 0.00 -0.15 0.00 0.00 55.06 55.14 3bbn s HIS 57 Cb -0.00 -2.40 -0.03 0.00 1.11 0.00 0.00 32.58 31.25 3bbn s HIS 57 CO 0.08 -0.12 0.18 -1.17 -0.85 0.00 0.00 174.74 172.86 3bbn s LEU 58 N 1.66 4.06 -0.48 0.89 2.96 -1.03 -4.88 118.68 121.87 3bbn s LEU 58 Ca 0.09 -0.19 -0.27 0.00 -0.22 0.00 0.00 54.13 53.54 3bbn s LEU 58 Cb -0.15 -2.08 -0.02 0.00 0.50 0.00 0.00 46.19 44.43 3bbn s LEU 58 CO 0.09 -0.11 1.83 -2.84 -1.32 0.00 0.00 176.35 174.00 3bbn s PRO 59 N 1.71 2.96 -0.08 0.98 0.02 -1.26 -3.23 135.00 136.11 3bbn s PRO 59 Ca 0.06 0.99 0.03 0.00 0.02 0.00 0.00 61.00 62.11 3bbn s PRO 59 Cb -0.16 -4.29 -0.02 0.00 0.02 0.00 0.00 34.50 30.05 3bbn s PRO 59 CO 0.09 -2.32 -0.17 0.42 -0.33 0.00 0.00 177.00 174.70 3bbn s ILE 60 N 8.06 2.79 0.18 2.83 1.01 -1.16 -5.02 121.20 129.90 3bbn s ILE 60 Ca 0.73 -0.80 -0.21 0.00 0.00 0.00 0.00 60.65 60.37 3bbn s ILE 60 Cb -0.17 -2.10 -0.08 0.00 0.01 0.00 0.00 42.46 40.12 3bbn s ILE 60 CO 0.27 0.57 0.71 -0.47 0.00 0.00 0.00 174.94 176.01 3bbn s TYR 61 N -0.25 3.75 -0.15 3.97 6.14 -1.26 -2.37 117.35 127.18 3bbn s TYR 61 Ca 0.01 1.43 -0.01 0.00 0.64 0.00 0.00 57.07 59.14 3bbn s TYR 61 Cb -0.13 -2.63 -0.01 0.00 0.42 0.00 0.00 41.96 39.60 3bbn s TYR 61 CO 0.03 0.44 -0.11 0.42 0.64 0.00 0.00 175.55 176.97 3bbn s ILE 62 N -1.34 3.17 0.00 3.14 -1.09 -1.25 -4.99 121.20 118.84 3bbn s ILE 62 Ca 0.38 -0.61 0.00 0.00 -2.23 0.00 0.00 60.65 58.19 3bbn s ILE 62 Cb -0.19 -2.36 0.00 0.00 -1.58 0.00 0.00 42.46 38.33 3bbn s ILE 62 CO 0.22 0.51 0.00 1.07 -1.23 0.00 0.00 174.94 175.51 3bbn n THR 63 N 3.75 0.00 0.29 2.92 5.66 -1.26 -3.07 114.28 122.57 3bbn n THR 63 Ca -0.18 0.00 0.12 0.00 -3.05 0.00 0.00 64.05 60.94 3bbn n THR 63 Cb 0.52 0.00 0.20 0.00 -1.55 0.00 0.00 70.33 69.51 3bbn n THR 63 CO 0.00 0.00 0.00 -0.78 -3.05 0.00 0.00 175.07 171.24 3bbn h ASP 64 N 0.00 0.00 1.37 1.09 3.58 -1.98 -3.28 116.42 117.20 3bbn h ASP 64 Ca 0.00 -0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 3bbn h ASP 64 Cb 0.00 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.05 3bbn h ASP 64 CO 0.00 0.00 0.00 0.03 -2.88 0.00 0.00 179.24 176.39 3bbn h ARG 65 N 0.00 0.00 -3.53 0.28 3.08 -2.03 -3.40 114.38 108.78 3bbn h ARG 65 Ca 0.00 0.00 -0.70 0.00 0.07 0.00 0.00 59.98 59.35 3bbn h ARG 65 Cb 0.95 0.00 -0.36 0.00 0.08 0.00 0.00 29.97 30.65 3bbn h ARG 65 CO 0.00 0.00 -0.35 0.00 -1.07 0.00 0.00 179.97 178.55 3bbn s MET 66 N -3.18 2.61 -0.07 0.04 0.23 -1.24 -4.87 119.30 112.81 3bbn s MET 66 Ca 0.09 -2.60 -0.08 0.00 -1.03 0.00 0.00 55.69 52.06 3bbn s MET 66 Cb 0.11 -3.74 -0.04 0.00 -1.53 0.00 0.00 34.83 29.63 3bbn s MET 66 CO 0.56 -1.18 -0.17 0.28 -2.03 0.00 0.00 175.02 172.48 3bbn n VAL 67 N 3.37 1.12 0.22 5.16 0.31 -1.26 -4.76 118.33 122.49 3bbn n VAL 67 Ca 0.09 0.10 -0.07 0.00 -0.01 0.00 0.00 64.34 64.46 3bbn n VAL 67 Cb 0.38 -1.85 0.04 0.00 -0.91 0.00 0.00 33.84 31.50 3bbn n VAL 67 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3bbn n GLY 68 N 2.39 2.76 3.82 2.92 0.00 -1.26 -3.94 105.19 111.87 3bbn n GLY 68 Ca -0.14 -0.33 -0.22 0.00 0.00 0.00 0.00 46.02 45.33 3bbn n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3bbn s HIS 69 N -0.85 2.87 -2.75 1.61 4.02 -1.26 -5.00 115.29 113.93 3bbn s HIS 69 Ca 0.15 -0.30 0.23 0.00 1.02 0.00 0.00 55.06 56.15 3bbn s HIS 69 Cb 0.12 -1.70 0.21 0.00 -1.02 0.00 0.00 32.58 30.19 3bbn s HIS 69 CO 0.02 0.27 1.24 1.63 1.02 0.00 0.00 174.74 178.92 3bbn n LYS 70 N -1.29 2.18 0.00 1.40 4.76 -1.26 -2.73 118.16 121.22 3bbn n LYS 70 Ca -0.03 -1.91 0.00 0.00 -2.87 0.00 0.00 58.31 53.51 3bbn n LYS 70 Cb 0.60 -1.44 0.00 0.00 -1.84 0.00 0.00 35.03 32.35 3bbn n LYS 70 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 3bbn n LEU 71 N 1.29 0.00 0.05 -0.35 4.77 -1.26 -4.30 117.00 117.20 3bbn n LEU 71 Ca 0.14 0.00 0.02 0.00 -0.03 0.00 0.00 56.01 56.14 3bbn n LEU 71 Cb 0.57 -0.18 -0.06 0.00 -2.33 0.00 0.00 43.42 41.42 3bbn n LEU 71 CO 0.14 0.00 -0.20 1.23 -1.33 0.00 0.00 177.39 177.23 3bbn h GLY 72 N 0.00 0.00 1.62 -0.72 0.00 -1.90 -3.27 103.07 98.81 3bbn h GLY 72 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3bbn h GLY 72 CO 0.00 0.00 -0.11 -1.84 0.00 0.00 0.00 176.54 174.59 3bbn n GLU 73 N -2.87 0.13 0.02 4.80 0.28 -1.26 -3.47 120.64 118.27 3bbn n GLU 73 Ca -0.07 -0.03 -0.22 0.00 -0.16 0.00 0.00 57.16 56.68 3bbn n GLU 73 Cb 0.78 -1.50 -0.14 0.00 1.43 0.00 0.00 31.44 32.01 3bbn n GLU 73 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 177.13 177.71 3bbn h PHE 74 N 0.07 0.50 -3.40 -1.84 -1.00 -1.94 -3.45 116.94 105.87 3bbn h PHE 74 Ca 0.00 -0.36 -0.60 0.00 2.81 0.00 0.00 57.97 59.82 3bbn h PHE 74 Cb 0.46 -0.02 -0.10 0.00 3.61 0.00 0.00 35.95 39.90 3bbn h PHE 74 CO 0.00 1.64 0.25 0.00 -1.61 0.00 0.00 178.31 178.59 3bbn s ALA 75 N -2.52 3.59 0.10 2.45 0.00 -1.23 -5.03 121.76 119.13 3bbn s ALA 75 Ca -0.20 -0.27 -0.31 0.00 0.00 0.00 0.00 51.96 51.18 3bbn s ALA 75 Cb 0.05 -3.09 -0.08 0.00 0.00 0.00 0.00 23.12 19.99 3bbn s ALA 75 CO 0.78 -0.75 1.52 -1.25 0.00 0.00 0.00 175.76 176.06 3bbn s PRO 76 N 2.37 4.25 0.02 0.00 0.04 -1.26 -4.89 135.00 135.53 3bbn s PRO 76 Ca 0.30 2.22 -0.25 0.00 0.04 0.00 0.00 61.00 63.31 3bbn s PRO 76 Cb -0.16 -3.36 -0.17 0.00 0.04 0.00 0.00 34.50 30.85 3bbn s PRO 76 CO 0.09 -0.59 1.37 1.15 0.04 0.00 0.00 177.00 179.06 3bbn h THR 77 N 4.43 0.92 -4.37 1.26 2.02 -1.88 -3.47 112.91 111.82 3bbn h THR 77 Ca -0.42 -0.59 -0.39 0.00 0.77 0.00 0.00 66.41 65.78 3bbn h THR 77 Cb 1.20 1.27 -0.09 0.00 -1.74 0.00 0.00 68.15 68.80 3bbn h THR 77 CO 0.90 0.13 -0.32 0.18 0.37 0.00 0.00 175.52 176.78 3bbn n LEU 78 N -5.07 0.00 -4.45 2.58 4.77 -1.26 -4.95 117.00 108.62 3bbn n LEU 78 Ca -0.09 -2.16 -0.44 0.00 -0.03 0.00 0.00 56.01 53.30 3bbn n LEU 78 Cb 0.22 0.63 -0.07 0.00 -2.33 0.00 0.00 43.42 41.87 3bbn n LEU 78 CO 0.32 -0.33 0.22 0.21 -1.33 0.00 0.00 177.39 176.48 3bbn s ASN 79 N -2.76 6.21 0.00 -1.43 3.84 -1.26 -5.00 114.94 114.55 3bbn s ASN 79 Ca 0.12 -0.86 0.00 0.00 0.21 0.00 0.00 52.86 52.33 3bbn s ASN 79 Cb 0.01 -2.25 0.00 0.00 -0.55 0.00 0.00 41.25 38.45 3bbn s ASN 79 CO 0.08 -0.75 0.00 2.22 -2.79 0.00 0.00 177.10 175.87 3bbn n PHE 80 N 5.85 0.00 -3.72 0.43 1.16 -1.26 -5.11 117.46 114.81 3bbn n PHE 80 Ca -0.07 0.00 -0.38 0.00 -1.87 0.00 0.00 57.45 55.13 3bbn n PHE 80 Cb 0.46 0.00 -0.12 0.00 -1.61 0.00 0.00 39.48 38.21 3bbn n PHE 80 CO 0.00 0.00 0.00 0.50 -1.87 0.00 0.00 176.76 175.39 3bbn s ARG 81 N 4.96 3.08 0.00 3.97 3.52 -1.26 -5.00 118.95 128.22 3bbn s ARG 81 Ca 0.00 -0.87 0.00 0.00 -0.13 0.00 0.00 55.73 54.73 3bbn s ARG 81 Cb 0.00 -3.46 0.00 0.00 -1.56 0.00 0.00 34.95 29.93 3bbn s ARG 81 CO 0.00 -0.48 0.00 0.41 -0.81 0.00 0.00 175.30 174.42 3bbn n GLY 82 N 4.90 1.38 3.59 8.12 0.00 -1.26 -5.13 105.19 116.80 3bbn n GLY 82 Ca -0.14 -0.20 -0.41 0.00 0.00 0.00 0.00 46.02 45.27 3bbn n GLY 82 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 3bbn s HIS 83 N -0.52 3.21 0.09 1.61 -3.43 -1.26 -5.03 115.29 109.97 3bbn s HIS 83 Ca 0.00 0.46 -0.23 0.00 -0.80 0.00 0.00 55.06 54.50 3bbn s HIS 83 Cb 0.00 -2.92 0.06 0.00 -1.43 0.00 0.00 32.58 28.29 3bbn s HIS 83 CO 0.00 -0.46 0.56 0.00 -2.00 0.00 0.00 174.74 172.84 3bbn s ALA 84 N 2.49 -1.44 0.33 -1.38 0.00 -1.26 -5.07 121.76 115.42 3bbn s ALA 84 Ca 0.22 0.56 -0.27 0.00 0.00 0.00 0.00 51.96 52.47 3bbn s ALA 84 Cb -0.15 0.58 -0.09 0.00 0.00 0.00 0.00 23.12 23.46 3bbn s ALA 84 CO 0.12 -0.61 1.05 -1.59 0.00 0.00 0.00 175.76 174.72 3bbn s LYS 85 N -3.00 4.46 -0.47 0.00 -2.85 -1.26 -4.98 119.74 111.64 3bbn s LYS 85 Ca -0.02 1.61 -0.28 0.00 -1.00 0.00 0.00 55.97 56.28 3bbn s LYS 85 Cb -0.00 -2.90 -0.00 0.00 -2.06 0.00 0.00 37.83 32.87 3bbn s LYS 85 CO -0.06 0.10 1.62 0.54 0.10 0.00 0.00 175.35 177.65 3bbn s ASN 86 N -1.26 5.92 0.40 0.03 2.20 -1.26 -4.99 114.94 115.98 3bbn s ASN 86 Ca 0.50 0.71 -0.25 0.00 -0.94 0.00 0.00 52.86 52.87 3bbn s ASN 86 Cb -0.26 -2.54 -0.08 0.00 -2.00 0.00 0.00 41.25 36.37 3bbn s ASN 86 CO 0.33 -1.80 1.19 1.51 -2.94 0.00 0.00 177.10 175.40 3bbn s ASP 87 N 5.60 6.47 -0.26 3.54 -4.77 -1.26 -4.98 116.67 121.01 3bbn s ASP 87 Ca 0.65 2.40 -0.29 0.00 -3.30 0.00 0.00 52.55 52.02 3bbn s ASP 87 Cb -0.15 -2.62 -0.01 0.00 -1.09 0.00 0.00 42.92 39.05 3bbn s ASP 87 CO 0.28 -0.71 1.45 0.20 0.70 0.00 0.00 175.17 177.08 3bbn s ASN 88 N -1.06 6.54 0.01 2.11 -0.87 -1.26 -4.99 114.94 115.42 3bbn s ASN 88 Ca 0.57 1.40 -0.30 0.00 -1.57 0.00 0.00 52.86 52.96 3bbn s ASN 88 Cb -0.32 -2.54 -0.05 0.00 -0.02 0.00 0.00 41.25 38.33 3bbn s ASN 88 CO 0.40 -1.16 1.23 -0.54 -2.57 0.00 0.00 177.10 174.47 3bbn s LYS 89 N 4.40 4.38 0.00 -0.60 1.02 -1.26 -5.04 119.74 122.64 3bbn s LYS 89 Ca 0.63 1.77 0.00 0.00 0.02 0.00 0.00 55.97 58.39 3bbn s LYS 89 Cb -0.20 -3.46 0.00 0.00 -0.52 0.00 0.00 37.83 33.64 3bbn s LYS 89 CO 0.26 -0.38 0.00 0.45 -0.92 0.00 0.00 175.35 174.76 3bbn n SER 90 N 4.65 0.00 -4.79 2.83 2.88 -1.26 -5.06 113.62 112.86 3bbn n SER 90 Ca 0.10 0.00 -0.39 0.00 -1.33 0.00 0.00 58.87 57.26 3bbn n SER 90 Cb 0.46 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.86 3bbn n SER 90 CO 0.00 0.00 0.00 -0.60 -1.23 0.00 0.00 175.04 173.21 3bbn s ARG 91 N 3.16 4.29 0.00 -1.46 6.06 -1.26 -5.33 118.95 124.41 3bbn s ARG 91 Ca 0.00 0.81 0.31 0.00 -2.50 0.00 0.00 55.73 54.35 3bbn s ARG 91 Cb 0.00 -3.27 1.83 0.00 0.06 0.00 0.00 34.95 33.58 3bbn s ARG 91 CO 0.00 0.56 2.16 -2.13 -2.50 0.00 0.00 175.30 173.39