#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fbn n ASP 18 N 0.00 1.81 -4.86 4.04 9.92 -1.26 -5.14 116.55 121.07 3fbn n ASP 18 Ca 0.00 -1.64 -0.33 0.00 -0.53 0.00 0.00 54.79 52.29 3fbn n ASP 18 Cb 0.00 0.02 -0.06 0.00 -0.64 0.00 0.00 41.12 40.45 3fbn n ASP 18 CO 0.00 0.00 0.00 -1.10 0.13 0.00 0.00 177.20 176.23 3fbn s GLN 19 N -2.68 3.31 0.50 -1.24 -1.52 -1.26 -5.08 119.66 111.69 3fbn s GLN 19 Ca 0.07 -0.37 -0.23 0.00 -1.95 0.00 0.00 55.36 52.89 3fbn s GLN 19 Cb -0.01 -3.02 -0.07 0.00 -0.22 0.00 0.00 33.01 29.69 3fbn s GLN 19 CO 0.04 0.67 1.23 0.09 -0.25 0.00 0.00 175.29 177.08 3fbn n ASN 20 N 1.11 2.18 -4.84 5.90 3.02 -1.26 -4.98 115.26 116.39 3fbn n ASN 20 Ca -0.12 1.00 -0.30 0.00 -0.03 0.00 0.00 54.58 55.12 3fbn n ASN 20 Cb 0.53 -1.50 0.06 0.00 -0.61 0.00 0.00 39.78 38.26 3fbn n ASN 20 CO 0.00 0.00 0.00 -2.84 -2.62 0.00 0.00 177.26 171.80 3fbn s PRO 21 N -2.54 2.72 0.48 3.52 0.02 -1.26 -5.04 135.00 132.90 3fbn s PRO 21 Ca 0.68 0.67 -0.12 0.00 0.02 0.00 0.00 61.00 62.25 3fbn s PRO 21 Cb -0.46 -1.99 -0.06 0.00 0.02 0.00 0.00 34.50 32.01 3fbn s PRO 21 CO 0.53 -1.18 0.88 -0.51 -0.33 0.00 0.00 177.00 176.39 3fbn s LEU 22 N -5.51 3.65 0.54 -5.54 1.43 -1.26 -5.03 118.68 106.95 3fbn s LEU 22 Ca 0.59 1.28 -0.20 0.00 -1.03 0.00 0.00 54.13 54.77 3fbn s LEU 22 Cb -0.13 -4.22 -0.06 0.00 0.03 0.00 0.00 46.19 41.82 3fbn s LEU 22 CO 0.54 -0.55 1.14 -2.84 0.23 0.00 0.00 176.35 174.87 3fbn s PRO 23 N -4.23 3.37 0.68 1.29 0.02 -1.26 -5.05 135.00 129.82 3fbn s PRO 23 Ca 0.54 1.66 -0.11 0.00 0.02 0.00 0.00 61.00 63.11 3fbn s PRO 23 Cb -0.10 -2.05 -0.00 0.00 0.02 0.00 0.00 34.50 32.36 3fbn s PRO 23 CO 0.36 -0.85 1.06 0.99 -0.33 0.00 0.00 177.00 178.24 3fbn s THR 24 N -1.72 4.04 0.34 0.99 2.01 -1.26 -4.85 115.64 115.18 3fbn s THR 24 Ca 0.72 0.66 0.03 0.00 0.31 0.00 0.00 61.69 63.41 3fbn s THR 24 Cb -0.25 -3.59 0.28 0.00 0.01 0.00 0.00 72.50 68.95 3fbn s THR 24 CO 0.29 -0.87 1.95 -0.09 -0.69 0.00 0.00 174.62 175.21 3fbn h ARG 25 N -0.57 0.85 0.09 4.92 2.43 -1.98 0.60 114.38 120.73 3fbn h ARG 25 Ca -0.45 -0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 58.67 3fbn h ARG 25 Cb 1.22 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 30.58 3fbn h ARG 25 CO 0.62 0.56 -0.05 0.35 -1.51 0.00 0.00 179.97 179.94 3fbn h PHE 26 N 0.88 -0.12 0.00 2.20 3.57 -1.99 -1.11 116.94 120.37 3fbn h PHE 26 Ca 0.33 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.79 3fbn h PHE 26 Cb 0.17 0.04 -0.01 0.00 2.79 0.00 0.00 35.95 38.94 3fbn h PHE 26 CO -0.00 0.14 -0.18 0.93 -2.23 0.00 0.00 178.31 176.97 3fbn h GLU 27 N -0.37 0.00 -0.13 1.11 5.08 -1.76 0.57 114.58 119.08 3fbn h GLU 27 Ca -0.01 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.26 3fbn h GLU 27 Cb 0.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.56 3fbn h GLU 27 CO 0.02 0.18 -0.25 0.28 -1.00 0.00 0.00 179.01 178.24 3fbn h VAL 28 N 0.00 1.37 -0.20 3.13 2.07 0.32 -2.67 116.25 120.27 3fbn h VAL 28 Ca -0.00 -1.51 -0.18 0.00 0.82 0.00 0.00 66.70 65.82 3fbn h VAL 28 Cb 0.43 2.04 -0.00 0.00 -1.52 0.00 0.00 31.29 32.23 3fbn h VAL 28 CO 0.02 0.45 -0.61 -0.33 0.02 0.00 0.00 177.57 177.12 3fbn h GLU 29 N -0.01 0.67 -0.93 1.57 5.08 -0.94 -2.22 114.58 117.80 3fbn h GLU 29 Ca 0.01 -0.46 0.11 0.00 -1.00 0.00 0.00 59.36 58.02 3fbn h GLU 29 Cb 0.84 0.07 -0.08 0.00 0.50 0.00 0.00 28.75 30.07 3fbn h GLU 29 CO 0.06 1.08 0.56 1.25 -1.00 0.00 0.00 179.01 180.96 3fbn h LEU 30 N 0.50 0.82 0.00 1.33 5.85 -0.95 -0.64 115.31 122.23 3fbn h LEU 30 Ca -0.00 0.05 -0.26 0.00 0.84 0.00 0.00 57.88 58.51 3fbn h LEU 30 Cb 1.19 -0.11 0.01 0.00 0.37 0.00 0.00 40.66 42.11 3fbn h LEU 30 CO 0.12 0.45 -1.12 -0.08 -0.34 0.00 0.00 178.44 177.47 3fbn h GLU 31 N 0.91 0.34 0.32 1.25 4.81 -1.39 -3.18 114.58 117.64 3fbn h GLU 31 Ca 0.45 -0.48 -0.02 0.00 -0.13 0.00 0.00 59.36 59.19 3fbn h GLU 31 Cb 0.43 0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.97 3fbn h GLU 31 CO -0.26 1.18 -0.15 0.35 -0.73 0.00 0.00 179.01 179.40 3fbn h PHE 32 N 0.14 -0.40 -0.97 0.92 3.57 -1.03 -2.85 116.94 116.34 3fbn h PHE 32 Ca -0.12 -0.01 0.14 0.00 3.53 0.00 0.00 57.97 61.51 3fbn h PHE 32 Cb 1.81 0.13 -0.08 0.00 2.79 0.00 0.00 35.95 40.60 3fbn h PHE 32 CO 0.07 -0.07 0.61 0.97 -2.23 0.00 0.00 178.31 177.66 3fbn h ILE 33 N -0.75 0.86 0.00 1.41 2.10 -1.23 0.60 117.51 120.50 3fbn h ILE 33 Ca -0.04 -0.29 0.00 0.00 1.08 0.00 0.00 64.86 65.60 3fbn h ILE 33 Cb 0.50 -0.07 0.00 0.00 -1.09 0.00 0.00 36.82 36.16 3fbn h ILE 33 CO 0.07 0.16 0.00 0.00 -1.08 0.00 0.00 178.15 177.30 3fbn n GLN 34 N -4.62 0.21 0.22 2.19 6.02 -1.20 -1.69 117.38 118.51 3fbn n GLN 34 Ca 0.19 0.28 0.15 0.00 -0.01 0.00 0.00 57.00 57.61 3fbn n GLN 34 Cb 0.42 -1.79 0.56 0.00 1.02 0.00 0.00 30.24 30.45 3fbn n GLN 34 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 3fbn h SER 35 N 0.00 0.00 0.35 1.08 4.64 -0.62 -2.71 113.55 116.29 3fbn h SER 35 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3fbn h SER 35 Cb 0.56 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.65 3fbn h SER 35 CO 0.00 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.14 3fbn n LEU 36 N -2.83 0.00 -0.19 5.97 4.77 -0.68 -2.28 117.00 121.76 3fbn n LEU 36 Ca 0.02 0.22 0.12 0.00 -0.03 0.00 0.00 56.01 56.34 3fbn n LEU 36 Cb 0.32 -0.22 0.62 0.00 -2.33 0.00 0.00 43.42 41.81 3fbn n LEU 36 CO 0.26 -0.04 0.91 0.00 -1.33 0.00 0.00 177.39 177.19 3fbn n ALA 37 N -1.22 2.61 -3.31 -1.18 0.00 -1.02 -4.63 120.51 111.76 3fbn n ALA 37 Ca 0.13 -0.28 -0.38 0.00 0.00 0.00 0.00 53.44 52.92 3fbn n ALA 37 Cb 0.17 -1.29 -0.12 0.00 0.00 0.00 0.00 19.45 18.20 3fbn n ALA 37 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 3fbn s ASN 38 N -1.76 5.30 0.31 0.00 2.47 -0.96 -4.83 114.94 115.47 3fbn s ASN 38 Ca 0.36 -1.24 0.01 0.00 0.42 0.00 0.00 52.86 52.41 3fbn s ASN 38 Cb 0.18 -1.86 0.52 0.00 -1.45 0.00 0.00 41.25 38.63 3fbn s ASN 38 CO 0.29 -0.35 1.91 0.40 -3.72 0.00 0.00 177.10 175.63 3fbn h ILE 39 N 6.21 1.20 -0.23 -5.21 1.08 -1.88 -0.45 117.51 118.23 3fbn h ILE 39 Ca -0.22 -0.57 0.06 0.00 -0.39 0.00 0.00 64.86 63.73 3fbn h ILE 39 Cb 1.08 0.48 -0.06 0.00 -3.07 0.00 0.00 36.82 35.24 3fbn h ILE 39 CO 0.61 0.23 -0.17 1.56 -0.69 0.00 0.00 178.15 179.70 3fbn h GLN 40 N 0.81 -0.16 0.21 2.37 1.08 -1.96 0.57 115.11 118.04 3fbn h GLN 40 Ca 0.20 0.01 -0.01 0.00 -1.45 0.00 0.00 58.65 57.40 3fbn h GLN 40 Cb 0.11 0.04 0.00 0.00 -0.05 0.00 0.00 27.48 27.58 3fbn h GLN 40 CO -0.02 -0.11 -0.10 -0.92 -0.95 0.00 0.00 178.83 176.73 3fbn h TYR 41 N -0.17 -0.26 -0.79 2.96 3.20 -1.54 -1.59 116.97 118.78 3fbn h TYR 41 Ca 0.13 -0.01 0.09 0.00 3.14 0.00 0.00 58.73 62.08 3fbn h TYR 41 Cb 0.36 0.09 -0.07 0.00 1.54 0.00 0.00 36.73 38.65 3fbn h TYR 41 CO -0.33 -0.12 0.44 0.28 -1.64 0.00 0.00 178.16 176.80 3fbn h VAL 42 N -0.34 0.92 0.05 1.81 2.07 -0.98 -1.80 116.25 117.96 3fbn h VAL 42 Ca -0.03 -0.26 0.03 0.00 0.82 0.00 0.00 66.70 67.26 3fbn h VAL 42 Cb 0.26 0.09 -0.05 0.00 -1.52 0.00 0.00 31.29 30.07 3fbn h VAL 42 CO 0.05 0.14 -0.39 0.74 0.02 0.00 0.00 177.57 178.13 3fbn h THR 43 N 0.76 0.20 -1.03 2.57 2.02 -0.66 -1.82 112.91 114.95 3fbn h THR 43 Ca 0.38 0.00 0.26 0.00 0.77 0.00 0.00 66.41 67.81 3fbn h THR 43 Cb 0.32 0.20 -0.09 0.00 -1.74 0.00 0.00 68.15 66.85 3fbn h THR 43 CO -0.24 0.00 0.66 0.22 0.37 0.00 0.00 175.52 176.53 3fbn h TYR 44 N -0.57 0.68 -0.35 3.16 5.03 -0.50 -0.39 116.97 124.03 3fbn h TYR 44 Ca 0.04 0.02 -0.10 0.00 2.58 0.00 0.00 58.73 61.28 3fbn h TYR 44 Cb 0.63 -0.20 -0.01 0.00 1.55 0.00 0.00 36.73 38.71 3fbn h TYR 44 CO -0.37 0.07 -0.15 -0.07 -1.32 0.00 0.00 178.16 176.32 3fbn h LEU 45 N 0.42 0.74 -1.37 2.82 3.38 -0.59 -3.06 115.31 117.64 3fbn h LEU 45 Ca 0.59 -0.40 -0.05 0.00 0.09 0.00 0.00 57.88 58.11 3fbn h LEU 45 Cb 1.45 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.99 3fbn h LEU 45 CO -0.30 0.97 -0.22 -0.07 0.09 0.00 0.00 178.44 178.91 3fbn h LEU 46 N 0.50 0.00 -6.02 1.67 3.38 -0.60 -2.93 115.31 111.32 3fbn h LEU 46 Ca 0.08 0.00 -0.78 0.00 0.09 0.00 0.00 57.88 57.27 3fbn h LEU 46 Cb 0.69 0.00 -0.29 0.00 0.09 0.00 0.00 40.66 41.15 3fbn h LEU 46 CO 0.05 0.22 0.80 0.35 0.09 0.00 0.00 178.44 179.95 3fbn n THR 47 N -3.54 5.52 -4.89 0.22 -2.24 -0.66 -4.41 114.28 104.28 3fbn n THR 47 Ca -0.01 -5.81 -0.27 0.00 -2.27 0.00 0.00 64.05 55.69 3fbn n THR 47 Cb 0.38 -1.51 -0.15 0.00 -2.10 0.00 0.00 70.33 66.95 3fbn n THR 47 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 3fbn s GLN 48 N -4.20 1.62 -0.04 -0.78 2.00 -1.11 -4.90 119.66 112.25 3fbn s GLN 48 Ca 0.41 -0.86 -0.21 0.00 -2.00 0.00 0.00 55.36 52.71 3fbn s GLN 48 Cb 0.22 -1.64 -0.32 0.00 0.80 0.00 0.00 33.01 32.07 3fbn s GLN 48 CO -0.15 0.44 0.90 -0.56 -0.50 0.00 0.00 175.29 175.42 3fbn h GLN 49 N 5.27 0.34 0.01 1.67 -0.00 -1.90 -3.41 115.11 117.08 3fbn h GLN 49 Ca -0.41 -0.58 -0.01 0.00 -0.00 0.00 0.00 58.65 57.64 3fbn h GLN 49 Cb 1.15 0.22 0.00 0.00 -0.00 0.00 0.00 27.48 28.84 3fbn h GLN 49 CO 0.46 1.28 -0.06 1.96 -0.00 0.00 0.00 178.83 182.47 3fbn h GLN 50 N -0.28 0.03 -0.01 0.06 4.20 -1.89 -3.39 115.11 113.83 3fbn h GLN 50 Ca -0.17 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.50 3fbn h GLN 50 Cb 1.74 0.01 -0.00 0.00 0.30 0.00 0.00 27.48 29.53 3fbn h GLN 50 CO 0.17 0.93 0.01 -0.84 -0.67 0.00 0.00 178.83 178.43 3fbn h ILE 51 N -0.85 0.27 -0.01 2.54 3.07 -1.85 -0.56 117.51 120.12 3fbn h ILE 51 Ca -0.01 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.40 3fbn h ILE 51 Cb 0.95 0.99 0.00 0.00 -0.27 0.00 0.00 36.82 38.50 3fbn h ILE 51 CO 0.01 0.00 -0.38 0.79 -1.05 0.00 0.00 178.15 177.52 3fbn n TRP 52 N -3.48 0.00 0.25 0.16 7.02 -1.26 -3.82 117.44 116.31 3fbn n TRP 52 Ca -0.03 0.00 0.09 0.00 -1.02 0.00 0.00 57.50 56.54 3fbn n TRP 52 Cb 0.09 -0.04 0.64 0.00 -2.42 0.00 0.00 31.31 29.57 3fbn n TRP 52 CO 0.00 0.00 0.00 0.87 -2.02 0.00 0.00 177.69 176.54 3fbn h LYS 53 N 2.11 0.00 -5.29 -0.99 1.57 -1.30 -3.44 116.57 109.23 3fbn h LYS 53 Ca 0.00 0.00 -0.39 0.00 -1.87 0.00 0.00 60.65 58.39 3fbn h LYS 53 Cb 0.68 0.00 -0.19 0.00 0.08 0.00 0.00 32.23 32.80 3fbn h LYS 53 CO 0.00 0.12 -0.76 -1.54 -0.57 0.00 0.00 179.45 176.71 3fbn s SER 54 N -6.65 1.77 0.12 0.86 1.04 -1.25 -5.05 113.70 104.54 3fbn s SER 54 Ca -0.04 -0.75 0.21 0.00 0.48 0.00 0.00 55.95 55.85 3fbn s SER 54 Cb 0.15 -0.05 0.86 0.00 0.10 0.00 0.00 66.02 67.09 3fbn s SER 54 CO 0.64 -0.15 1.66 -0.81 0.98 0.00 0.00 173.24 175.56 3fbn n PRO 55 N 0.76 0.11 -0.10 4.02 -0.04 -1.26 -3.99 135.00 134.50 3fbn n PRO 55 Ca -0.17 0.28 -0.03 0.00 -0.04 0.00 0.00 63.50 63.54 3fbn n PRO 55 Cb 0.56 -1.68 -0.02 0.00 -0.04 0.00 0.00 33.50 32.32 3fbn n PRO 55 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3fbn n ASN 56 N -1.88 -0.26 -0.06 3.54 4.13 -1.26 0.19 115.26 119.66 3fbn n ASN 56 Ca 0.04 1.03 -0.10 0.00 1.68 0.00 0.00 54.58 57.23 3fbn n ASN 56 Cb 0.25 -0.35 -0.03 0.00 -1.54 0.00 0.00 39.78 38.11 3fbn n ASN 56 CO 0.00 0.00 0.00 0.15 0.28 0.00 0.00 177.26 177.69 3fbn h PHE 57 N 0.00 0.31 -0.64 3.10 3.57 -1.77 0.17 116.94 121.68 3fbn h PHE 57 Ca 0.04 -0.00 0.13 0.00 3.53 0.00 0.00 57.97 61.67 3fbn h PHE 57 Cb 0.10 -0.10 -0.10 0.00 2.79 0.00 0.00 35.95 38.64 3fbn h PHE 57 CO -0.81 0.23 0.12 -0.22 -2.23 0.00 0.00 178.31 175.40 3fbn h LYS 58 N 0.29 0.23 -0.37 1.11 3.64 -1.73 -0.35 116.57 119.39 3fbn h LYS 58 Ca 0.08 -0.01 -0.09 0.00 -1.27 0.00 0.00 60.65 59.36 3fbn h LYS 58 Cb 0.01 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.77 3fbn h LYS 58 CO -0.02 0.15 -0.13 -0.91 -2.27 0.00 0.00 179.45 176.28 3fbn h ASN 59 N 0.24 0.64 0.13 4.20 2.35 0.84 -2.56 115.58 121.41 3fbn h ASN 59 Ca 0.34 -0.18 -0.01 0.00 -0.55 0.00 0.00 56.30 55.90 3fbn h ASN 59 Cb 0.54 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.74 3fbn h ASN 59 CO -0.45 0.79 -0.06 0.22 -1.65 0.00 0.00 177.43 176.28 3fbn h TYR 60 N 0.59 -0.16 -0.90 1.19 3.20 -0.02 -1.78 116.97 119.10 3fbn h TYR 60 Ca 0.10 -0.00 0.16 0.00 3.14 0.00 0.00 58.73 62.13 3fbn h TYR 60 Cb 0.56 0.05 -0.07 0.00 1.54 0.00 0.00 36.73 38.81 3fbn h TYR 60 CO 0.02 0.12 0.58 -0.07 -1.64 0.00 0.00 178.16 177.17 3fbn h LEU 61 N -0.44 0.61 -0.35 2.82 3.38 -1.00 0.82 115.31 121.14 3fbn h LEU 61 Ca -0.02 0.04 -0.17 0.00 0.09 0.00 0.00 57.88 57.82 3fbn h LEU 61 Cb 0.35 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.03 3fbn h LEU 61 CO 0.03 0.29 -0.47 0.50 0.09 0.00 0.00 178.44 178.88 3fbn h LYS 62 N 0.64 0.90 -0.89 1.13 1.63 -1.38 -3.05 116.57 115.54 3fbn h LYS 62 Ca 0.46 -0.52 0.06 0.00 -0.85 0.00 0.00 60.65 59.80 3fbn h LYS 62 Cb 0.82 0.04 -0.06 0.00 -0.60 0.00 0.00 32.23 32.44 3fbn h LYS 62 CO -0.21 1.17 0.58 -0.92 -3.45 0.00 0.00 179.45 176.62 3fbn h TYR 63 N 0.71 1.03 0.00 1.91 5.03 -0.00 -2.60 116.97 123.05 3fbn h TYR 63 Ca 0.04 0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.37 3fbn h TYR 63 Cb 1.07 -0.34 0.00 0.00 1.55 0.00 0.00 36.73 39.01 3fbn h TYR 63 CO 0.07 0.55 0.00 1.28 -1.32 0.00 0.00 178.16 178.74 3fbn n LEU 64 N -4.48 0.00 0.00 2.82 4.77 -0.17 -2.86 117.00 117.08 3fbn n LEU 64 Ca 0.13 0.39 0.06 0.00 -0.03 0.00 0.00 56.01 56.56 3fbn n LEU 64 Cb 0.19 -0.39 0.36 0.00 -2.33 0.00 0.00 43.42 41.25 3fbn n LEU 64 CO 0.33 -0.26 0.57 -0.62 -1.33 0.00 0.00 177.39 176.08 3fbn n GLU 65 N -1.39 0.46 0.28 3.23 1.02 -0.98 -2.32 120.64 120.95 3fbn n GLU 65 Ca 0.04 0.00 0.18 0.00 -0.02 0.00 0.00 57.16 57.35 3fbn n GLU 65 Cb 0.09 -1.41 0.72 0.00 -0.02 0.00 0.00 31.44 30.83 3fbn n GLU 65 CO 0.00 0.00 0.00 0.10 1.18 0.00 0.00 177.13 178.41 3fbn h TYR 66 N 0.00 0.00 0.00 -0.32 -0.00 -1.79 -2.04 116.97 112.83 3fbn h TYR 66 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.73 3fbn h TYR 66 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36.73 36.73 3fbn h TYR 66 CO 0.00 0.00 0.00 0.91 -0.00 0.00 0.00 178.16 179.07 3fbn n TRP 67 N -3.06 0.00 0.40 0.10 7.02 -0.98 -3.36 117.44 117.56 3fbn n TRP 67 Ca 0.00 0.00 0.12 0.00 -1.02 0.00 0.00 57.50 56.60 3fbn n TRP 67 Cb 0.29 -0.39 0.14 0.00 -2.42 0.00 0.00 31.31 28.92 3fbn n TRP 67 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 3fbn s ASN 69 N -4.79 4.61 0.61 0.00 -0.87 -1.21 -4.78 114.94 108.51 3fbn s ASN 69 Ca 0.05 -0.86 -0.09 0.00 -1.57 0.00 0.00 52.86 50.39 3fbn s ASN 69 Cb 0.11 -0.65 -0.01 0.00 -0.02 0.00 0.00 41.25 40.68 3fbn s ASN 69 CO 0.73 -0.37 0.98 -2.84 -2.57 0.00 0.00 177.10 173.02 3fbn s PRO 70 N -3.87 3.22 0.22 -0.60 0.02 -1.26 -0.78 135.00 131.96 3fbn s PRO 70 Ca 0.39 0.40 0.24 0.00 0.02 0.00 0.00 61.00 62.04 3fbn s PRO 70 Cb -0.01 -2.16 0.92 0.00 0.02 0.00 0.00 34.50 33.27 3fbn s PRO 70 CO 0.23 -0.67 1.72 -2.30 -0.33 0.00 0.00 177.00 175.65 3fbn n PRO 71 N -2.70 0.20 -0.12 5.54 -0.02 -1.26 -4.82 135.00 131.81 3fbn n PRO 71 Ca 0.05 0.35 -0.09 0.00 -2.02 0.00 0.00 63.50 61.78 3fbn n PRO 71 Cb 0.56 -1.82 -0.04 0.00 -0.02 0.00 0.00 33.50 32.18 3fbn n PRO 71 CO 0.00 0.00 0.00 1.88 1.98 0.00 0.00 175.50 179.36 3fbn h TYR 72 N 0.00 -1.15 -0.38 6.00 -1.99 -1.79 -1.68 116.97 115.98 3fbn h TYR 72 Ca 0.00 0.07 0.11 0.00 2.00 0.00 0.00 58.73 60.91 3fbn h TYR 72 Cb 0.47 0.56 -0.02 0.00 2.00 0.00 0.00 36.73 39.74 3fbn h TYR 72 CO 0.00 -0.43 0.46 0.66 -0.00 0.00 0.00 178.16 178.85 3fbn h SER 73 N -0.31 0.00 0.64 3.88 4.64 -0.75 -0.42 113.55 121.24 3fbn h SER 73 Ca 0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 3fbn h SER 73 Cb 0.57 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.66 3fbn h SER 73 CO -0.56 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.40 3fbn n GLN 74 N -3.61 0.18 0.02 4.77 6.02 -0.63 -2.72 117.38 121.41 3fbn n GLN 74 Ca 0.07 0.07 0.11 0.00 -0.01 0.00 0.00 57.00 57.24 3fbn n GLN 74 Cb 0.62 -1.50 0.08 0.00 1.02 0.00 0.00 30.24 30.46 3fbn n GLN 74 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3fbn s ILE 76 N -3.13 4.14 -0.59 0.00 -1.09 -1.10 -4.88 121.20 114.54 3fbn s ILE 76 Ca 0.06 1.26 0.24 0.00 -2.23 0.00 0.00 60.65 59.98 3fbn s ILE 76 Cb 0.15 -4.22 0.14 0.00 -1.58 0.00 0.00 42.46 36.95 3fbn s ILE 76 CO 0.78 -0.56 1.44 0.58 -1.23 0.00 0.00 174.94 175.95 3fbn h VAL 77 N 6.04 0.00 -2.45 2.92 2.07 -1.89 -3.40 116.25 119.54 3fbn h VAL 77 Ca -0.26 -0.61 -0.59 0.00 0.82 0.00 0.00 66.70 66.06 3fbn h VAL 77 Cb 1.09 1.34 -0.39 0.00 -1.52 0.00 0.00 31.29 31.81 3fbn h VAL 77 CO 1.05 0.00 -0.91 -1.22 0.02 0.00 0.00 177.57 176.51 3fbn n TYR 78 N -2.33 -0.08 0.81 1.57 4.01 -1.26 -4.99 117.16 114.88 3fbn n TYR 78 Ca 0.04 -3.51 0.13 0.00 -0.16 0.00 0.00 57.90 54.39 3fbn n TYR 78 Cb 0.46 0.05 0.52 0.00 -0.31 0.00 0.00 39.34 40.06 3fbn n TYR 78 CO 0.00 0.00 0.00 -2.30 -0.46 0.00 0.00 176.86 174.10 3fbn n PRO 79 N 2.53 0.11 -0.34 -0.72 -0.02 -1.26 -2.94 135.00 132.35 3fbn n PRO 79 Ca 0.28 0.11 0.22 0.00 -2.02 0.00 0.00 63.50 62.08 3fbn n PRO 79 Cb 0.46 -1.63 0.45 0.00 -0.02 0.00 0.00 33.50 32.76 3fbn n PRO 79 CO 0.00 0.00 0.00 -0.91 1.98 0.00 0.00 175.50 176.57 3fbn h ASN 80 N 0.00 0.56 -0.86 2.55 2.35 -1.94 -0.10 115.58 118.14 3fbn h ASN 80 Ca 0.00 0.15 0.22 0.00 -0.55 0.00 0.00 56.30 56.12 3fbn h ASN 80 Cb 0.57 0.07 -0.05 0.00 0.05 0.00 0.00 38.32 38.96 3fbn h ASN 80 CO 0.00 -0.00 0.59 0.00 -1.65 0.00 0.00 177.43 176.37 3fbn h LEU 82 N 0.23 0.44 0.18 0.00 3.38 -1.26 -0.94 115.31 117.34 3fbn h LEU 82 Ca 0.43 -0.29 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 3fbn h LEU 82 Cb 1.32 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.95 3fbn h LEU 82 CO -0.10 1.02 -0.09 0.15 0.09 0.00 0.00 178.44 179.51 3fbn h PHE 83 N 0.25 -0.23 -1.00 1.13 3.57 -1.30 -2.63 116.94 116.73 3fbn h PHE 83 Ca -0.03 -0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.56 3fbn h PHE 83 Cb 1.30 0.08 -0.08 0.00 2.79 0.00 0.00 35.95 40.04 3fbn h PHE 83 CO 0.04 0.10 0.63 0.82 -2.23 0.00 0.00 178.31 177.67 3fbn h ILE 84 N -0.57 1.00 -0.59 1.41 1.08 -1.34 -1.21 117.51 117.29 3fbn h ILE 84 Ca -0.03 -0.37 -0.08 0.00 -0.39 0.00 0.00 64.86 63.99 3fbn h ILE 84 Cb 0.43 -0.17 -0.02 0.00 -3.07 0.00 0.00 36.82 33.99 3fbn h ILE 84 CO 0.04 0.20 0.03 0.25 -0.69 0.00 0.00 178.15 177.98 3fbn h LEU 85 N 1.07 0.96 -0.36 1.44 5.85 -1.16 0.27 115.31 123.37 3fbn h LEU 85 Ca 0.46 -0.25 -0.01 0.00 0.84 0.00 0.00 57.88 58.92 3fbn h LEU 85 Cb 0.33 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.09 3fbn h LEU 85 CO -0.22 1.00 0.17 0.11 -0.34 0.00 0.00 178.44 179.15 3fbn h LYS 86 N 0.92 0.52 0.70 1.25 1.79 -0.88 -0.22 116.57 120.66 3fbn h LYS 86 Ca 0.17 -0.08 -0.03 0.00 -2.18 0.00 0.00 60.65 58.53 3fbn h LYS 86 Cb 0.49 -0.09 0.00 0.00 -1.58 0.00 0.00 32.23 31.05 3fbn h LYS 86 CO 0.02 0.48 -0.35 -0.07 -1.08 0.00 0.00 179.45 178.45 3fbn h LEU 87 N 0.44 -0.84 -0.83 2.94 3.38 -1.09 -2.60 115.31 116.71 3fbn h LEU 87 Ca 0.12 0.03 0.18 0.00 0.09 0.00 0.00 57.88 58.31 3fbn h LEU 87 Cb 0.13 0.22 -0.11 0.00 0.09 0.00 0.00 40.66 41.00 3fbn h LEU 87 CO -0.01 -0.59 0.34 0.25 0.09 0.00 0.00 178.44 178.52 3fbn h LEU 88 N -0.96 0.29 -0.50 1.67 5.85 -0.85 0.12 115.31 120.93 3fbn h LEU 88 Ca -0.09 0.14 -0.04 0.00 0.84 0.00 0.00 57.88 58.72 3fbn h LEU 88 Cb 0.75 0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.87 3fbn h LEU 88 CO 0.15 0.04 0.16 0.78 -0.34 0.00 0.00 178.44 179.23 3fbn h ASN 89 N 0.42 0.72 -0.33 1.25 2.35 -1.01 -2.40 115.58 116.59 3fbn h ASN 89 Ca 0.49 -0.20 -0.04 0.00 -0.55 0.00 0.00 56.30 56.00 3fbn h ASN 89 Cb 0.85 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 39.02 3fbn h ASN 89 CO -0.48 0.73 0.06 1.23 -1.65 0.00 0.00 177.43 177.32 3fbn h GLY 90 N 0.68 0.59 -0.24 2.83 0.00 -0.76 -2.02 103.07 104.13 3fbn h GLY 90 Ca 0.16 -0.39 0.26 0.00 0.00 0.00 0.00 47.33 47.37 3fbn h GLY 90 CO -0.01 0.36 0.57 -2.75 0.00 0.00 0.00 176.54 174.71 3fbn h PHE 91 N 0.37 0.96 0.00 5.60 3.57 -0.81 -2.52 116.94 124.12 3fbn h PHE 91 Ca 0.10 0.04 -0.07 0.00 3.53 0.00 0.00 57.97 61.56 3fbn h PHE 91 Cb 0.35 -0.27 -0.01 0.00 2.79 0.00 0.00 35.95 38.81 3fbn h PHE 91 CO 0.02 -0.01 -0.36 0.52 -2.23 0.00 0.00 178.31 176.26 3fbn h MET 92 N 0.50 0.00 -0.28 1.11 2.86 -0.83 -1.87 114.93 116.42 3fbn h MET 92 Ca 0.66 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 58.20 3fbn h MET 92 Cb 1.32 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.97 3fbn h MET 92 CO -0.51 0.36 -0.22 0.93 1.06 0.00 0.00 176.91 178.52 3fbn h GLU 93 N 0.00 0.65 -0.02 1.72 5.08 -1.38 -3.16 114.58 117.47 3fbn h GLU 93 Ca -0.00 -0.32 0.00 0.00 -1.00 0.00 0.00 59.36 58.04 3fbn h GLU 93 Cb 0.72 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.97 3fbn h GLU 93 CO 0.05 0.92 -0.24 -1.13 -1.00 0.00 0.00 179.01 177.61 3fbn n SER 94 N -4.34 1.77 -4.77 1.42 3.41 -1.20 -4.97 113.62 104.94 3fbn n SER 94 Ca -0.04 -1.39 -0.38 0.00 -0.26 0.00 0.00 58.87 56.80 3fbn n SER 94 Cb 0.43 0.20 -0.02 0.00 -0.26 0.00 0.00 64.21 64.56 3fbn n SER 94 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3fbn s ALA 95 N -2.32 3.14 -0.19 7.33 0.00 -0.71 -5.03 121.76 123.99 3fbn s ALA 95 Ca 0.26 1.01 -0.02 0.00 0.00 0.00 0.00 51.96 53.21 3fbn s ALA 95 Cb 0.19 -3.40 -0.01 0.00 0.00 0.00 0.00 23.12 19.91 3fbn s ALA 95 CO 0.47 -0.60 -0.09 0.42 0.00 0.00 0.00 175.76 175.95 3fbn s ILE 96 N -1.40 3.08 -0.08 0.00 1.01 -1.26 -5.02 121.20 117.52 3fbn s ILE 96 Ca 0.58 -0.61 0.03 0.00 0.00 0.00 0.00 60.65 60.64 3fbn s ILE 96 Cb -0.32 -2.36 -0.02 0.00 0.01 0.00 0.00 42.46 39.78 3fbn s ILE 96 CO 0.40 0.47 -0.15 0.54 0.00 0.00 0.00 174.94 176.20 3fbn s VAL 97 N 1.11 2.90 0.88 2.92 0.11 -1.26 -2.22 120.40 124.84 3fbn s VAL 97 Ca 0.01 -0.75 -0.13 0.00 -2.93 0.00 0.00 61.98 58.17 3fbn s VAL 97 Cb -0.14 -2.16 0.13 0.00 -1.53 0.00 0.00 36.38 32.68 3fbn s VAL 97 CO -0.02 0.56 1.22 0.21 -3.33 0.00 0.00 175.10 173.74 3fbn s ASN 98 N -0.25 3.85 0.45 3.54 2.47 -1.08 -4.93 114.94 119.00 3fbn s ASN 98 Ca 0.01 0.64 0.31 0.00 0.42 0.00 0.00 52.86 54.23 3fbn s ASN 98 Cb -0.13 -0.99 1.53 0.00 -1.45 0.00 0.00 41.25 40.21 3fbn s ASN 98 CO 0.03 -2.30 1.93 -0.33 -3.72 0.00 0.00 177.10 172.71 3fbn h GLU 99 N -1.34 0.00 0.00 0.43 5.08 -2.00 -2.19 114.58 114.56 3fbn h GLU 99 Ca -0.46 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 57.88 3fbn h GLU 99 Cb 1.30 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.55 3fbn h GLU 99 CO 0.56 0.00 -0.12 0.22 -1.00 0.00 0.00 179.01 178.67 3fbn h ASP 100 N 0.00 0.00 0.00 1.42 3.58 -1.96 -3.46 116.42 116.00 3fbn h ASP 100 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 3fbn h ASP 100 Cb 0.17 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.22 3fbn h ASP 100 CO 0.00 0.12 0.00 0.61 -2.88 0.00 0.00 179.24 177.09 3fbn n GLY 101 N -0.36 0.79 3.83 -0.78 0.00 -0.82 -4.85 105.19 103.00 3fbn n GLY 101 Ca -0.01 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.75 3fbn n GLY 101 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3fbn s LEU 102 N 0.00 3.92 -0.14 0.99 1.43 -1.26 -4.24 118.68 119.38 3fbn s LEU 102 Ca 0.00 -0.06 -0.22 0.00 -1.03 0.00 0.00 54.13 52.83 3fbn s LEU 102 Cb 0.00 -2.53 -0.03 0.00 0.03 0.00 0.00 46.19 43.66 3fbn s LEU 102 CO 0.00 0.07 0.65 -0.76 0.23 0.00 0.00 176.35 176.54 3fbn s LEU 103 N -3.09 4.23 0.27 1.79 1.43 -1.26 -2.63 118.68 119.41 3fbn s LEU 103 Ca 0.32 0.99 -0.29 0.00 -1.03 0.00 0.00 54.13 54.11 3fbn s LEU 103 Cb -0.10 -2.96 -0.09 0.00 0.03 0.00 0.00 46.19 43.07 3fbn s LEU 103 CO 0.24 -0.19 0.99 -1.61 0.23 0.00 0.00 176.35 176.02 3fbn s GLU 104 N 1.34 4.74 0.00 1.70 2.02 -0.94 -2.98 118.70 124.58 3fbn s GLU 104 Ca 0.32 1.57 0.00 0.00 0.02 0.00 0.00 54.97 56.88 3fbn s GLU 104 Cb -0.16 -3.17 0.00 0.00 0.10 0.00 0.00 34.13 30.89 3fbn s GLU 104 CO 0.13 0.38 0.00 0.41 0.02 0.00 0.00 175.26 176.20 3fbn n GLY 105 N 1.26 3.05 3.42 -1.39 0.00 -1.26 -4.80 105.19 105.48 3fbn n GLY 105 Ca -0.01 -0.67 -0.43 0.00 0.00 0.00 0.00 46.02 44.91 3fbn n GLY 105 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3fbn n LEU 106 N 0.00 5.30 -3.67 0.99 4.77 -1.16 -4.80 117.00 118.44 3fbn n LEU 106 Ca 0.00 -4.00 -0.28 0.00 -0.03 0.00 0.00 56.01 51.71 3fbn n LEU 106 Cb 0.00 -1.72 -0.11 0.00 -2.33 0.00 0.00 43.42 39.25 3fbn n LEU 106 CO 0.00 0.36 -0.18 -1.81 -1.33 0.00 0.00 177.39 174.43 3fbn s ASP 107 N 3.94 3.26 0.00 -1.43 1.11 -1.26 -4.87 116.67 117.42 3fbn s ASP 107 Ca 0.52 -3.39 0.00 0.00 0.18 0.00 0.00 52.55 49.86 3fbn s ASP 107 Cb 0.05 -1.06 0.00 0.00 1.07 0.00 0.00 42.92 42.98 3fbn s ASP 107 CO 0.05 -0.14 0.00 -0.62 1.18 0.00 0.00 175.17 175.64 3fbn n GLU 108 N 2.51 0.00 -4.36 8.23 1.02 -1.26 -5.20 120.64 121.58 3fbn n GLU 108 Ca 0.23 0.00 -0.25 0.00 -0.02 0.00 0.00 57.16 57.11 3fbn n GLU 108 Cb 0.40 0.00 -0.09 0.00 -0.02 0.00 0.00 31.44 31.73 3fbn n GLU 108 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3fbn s LEU 109 N 0.00 2.97 0.00 -4.62 1.43 -1.26 -5.21 118.68 111.99 3fbn s LEU 109 Ca 0.00 -1.11 0.14 0.00 -1.03 0.00 0.00 54.13 52.13 3fbn s LEU 109 Cb 0.00 -1.25 0.85 0.00 0.03 0.00 0.00 46.19 45.82 3fbn s LEU 109 CO 0.00 -0.35 1.27 -2.65 0.23 0.00 0.00 176.35 174.85