#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 4fis h LEU 27 N 0.00 0.00 -0.96 1.53 5.85 -2.06 -3.13 115.31 116.54 4fis h LEU 27 Ca 0.00 0.00 0.15 0.00 0.84 0.00 0.00 57.88 58.87 4fis h LEU 27 Cb 0.00 0.00 -0.09 0.00 0.37 0.00 0.00 40.66 40.94 4fis h LEU 27 CO 0.00 0.47 0.57 0.03 -0.34 0.00 0.00 178.44 179.17 4fis h ARG 28 N 0.00 0.80 -0.01 1.25 3.08 -2.06 -3.04 114.38 114.41 4fis h ARG 28 Ca -0.00 -0.05 -0.16 0.00 0.07 0.00 0.00 59.98 59.84 4fis h ARG 28 Cb 0.91 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.76 4fis h ARG 28 CO 0.06 0.53 -0.74 -0.44 -1.07 0.00 0.00 179.97 178.31 4fis h ASP 29 N 0.83 0.10 0.78 7.04 3.32 -1.97 -0.53 116.42 125.99 4fis h ASP 29 Ca 0.51 -0.07 -0.12 0.00 0.02 0.00 0.00 57.03 57.37 4fis h ASP 29 Cb 0.64 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 40.15 4fis h ASP 29 CO -0.32 0.80 -0.59 0.28 -1.72 0.00 0.00 179.24 177.69 4fis h SER 30 N 0.05 0.00 -0.03 6.45 0.02 -1.64 0.72 113.55 119.11 4fis h SER 30 Ca -0.02 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.92 4fis h SER 30 Cb 1.31 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.85 4fis h SER 30 CO 0.10 0.59 -0.02 0.58 -1.14 0.00 0.00 176.83 176.94 4fis h VAL 31 N 0.00 1.36 -0.72 2.27 2.07 -1.41 -0.73 116.25 119.08 4fis h VAL 31 Ca -0.01 -1.09 0.11 0.00 0.82 0.00 0.00 66.70 66.54 4fis h VAL 31 Cb 1.14 2.03 -0.08 0.00 -1.52 0.00 0.00 31.29 32.86 4fis h VAL 31 CO 0.08 0.29 0.32 0.50 0.02 0.00 0.00 177.57 178.78 4fis h LYS 32 N -0.36 0.50 -0.35 1.57 1.63 -0.88 -1.97 116.57 116.71 4fis h LYS 32 Ca 0.01 -0.03 -0.14 0.00 -0.85 0.00 0.00 60.65 59.64 4fis h LYS 32 Cb 0.48 -0.11 -0.01 0.00 -0.60 0.00 0.00 32.23 31.99 4fis h LYS 32 CO 0.01 0.33 -0.32 1.96 -3.45 0.00 0.00 179.45 177.98 4fis h GLN 33 N 0.52 0.83 -0.79 1.90 1.08 -0.83 -1.74 115.11 116.07 4fis h GLN 33 Ca 0.38 -0.43 0.02 0.00 -1.45 0.00 0.00 58.65 57.17 4fis h GLN 33 Cb 0.48 0.01 -0.04 0.00 -0.05 0.00 0.00 27.48 27.88 4fis h GLN 33 CO -0.33 1.06 0.52 0.00 -0.95 0.00 0.00 178.83 179.13 4fis h ALA 34 N 0.75 1.49 0.08 3.87 0.00 -0.80 -0.31 119.26 124.33 4fis h ALA 34 Ca 0.06 -0.04 -0.29 0.00 0.00 0.00 0.00 54.91 54.64 4fis h ALA 34 Cb 0.90 -0.29 0.03 0.00 0.00 0.00 0.00 17.79 18.42 4fis h ALA 34 CO 0.08 0.45 -1.16 -0.07 0.00 0.00 0.00 179.25 178.54 4fis h LEU 35 N 1.01 0.89 -0.73 0.00 3.38 -1.35 -0.29 115.31 118.22 4fis h LEU 35 Ca 0.30 -0.79 0.14 0.00 0.09 0.00 0.00 57.88 57.62 4fis h LEU 35 Cb -0.03 -0.28 -0.09 0.00 0.09 0.00 0.00 40.66 40.35 4fis h LEU 35 CO -0.08 1.58 0.27 0.11 0.09 0.00 0.00 178.44 180.42 4fis h LYS 36 N 0.31 0.40 0.02 1.13 1.57 -0.81 0.03 116.57 119.22 4fis h LYS 36 Ca -0.17 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.59 4fis h LYS 36 Cb 1.83 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 34.05 4fis h LYS 36 CO 0.23 0.27 -0.01 -0.91 -0.57 0.00 0.00 179.45 178.45 4fis h ASN 37 N 0.41 -0.03 0.38 0.86 4.21 -1.07 -1.75 115.58 118.59 4fis h ASN 37 Ca 0.40 -0.41 -0.00 0.00 1.21 0.00 0.00 56.30 57.50 4fis h ASN 37 Cb 0.61 0.01 -0.03 0.00 -1.12 0.00 0.00 38.32 37.79 4fis h ASN 37 CO -0.41 0.40 -0.49 0.22 -1.29 0.00 0.00 177.43 175.86 4fis h TYR 38 N -0.46 -1.36 -0.07 1.19 3.20 -0.54 -1.61 116.97 117.31 4fis h TYR 38 Ca -0.00 0.02 0.02 0.00 3.14 0.00 0.00 58.73 61.90 4fis h TYR 38 Cb 0.44 0.55 -0.00 0.00 1.54 0.00 0.00 36.73 39.25 4fis h TYR 38 CO 0.07 -0.63 0.06 0.74 -1.64 0.00 0.00 178.16 176.76 4fis h PHE 39 N -0.90 0.00 0.00 -3.82 0.04 -1.08 0.61 116.94 111.79 4fis h PHE 39 Ca -0.04 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.73 4fis h PHE 39 Cb 0.82 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.97 4fis h PHE 39 CO -0.30 0.00 0.00 0.00 -0.60 0.00 0.00 178.31 177.41 4fis n ALA 40 N -2.44 1.48 -3.15 2.45 0.00 -0.62 -3.05 120.51 115.19 4fis n ALA 40 Ca -0.01 0.05 -0.25 0.00 0.00 0.00 0.00 53.44 53.23 4fis n ALA 40 Cb 0.16 -1.28 -0.05 0.00 0.00 0.00 0.00 19.45 18.28 4fis n ALA 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 4fis n GLN 41 N -1.93 2.21 -0.02 0.00 0.00 0.21 -4.81 117.38 113.04 4fis n GLN 41 Ca 0.02 -4.26 -0.06 0.00 0.00 0.00 0.00 57.00 52.70 4fis n GLN 41 Cb 0.15 -1.98 -0.02 0.00 0.00 0.00 0.00 30.24 28.39 4fis n GLN 41 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.06 176.95 4fis n LEU 42 N 0.38 1.17 0.00 2.61 7.94 -1.17 -5.01 117.00 122.92 4fis n LEU 42 Ca 0.28 0.18 0.00 0.00 -1.11 0.00 0.00 56.01 55.36 4fis n LEU 42 Cb 0.47 -0.42 0.00 0.00 0.53 0.00 0.00 43.42 44.00 4fis n LEU 42 CO 0.31 -0.31 0.00 0.59 -1.11 0.00 0.00 177.39 176.86 4fis n ASN 43 N -3.71 0.00 -0.46 1.96 4.13 -1.26 -1.38 115.26 114.54 4fis n ASN 43 Ca -0.10 0.00 0.09 0.00 1.68 0.00 0.00 54.58 56.25 4fis n ASN 43 Cb 0.34 0.00 0.36 0.00 -1.54 0.00 0.00 39.78 38.94 4fis n ASN 43 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 4fis n GLY 44 N 0.00 0.08 3.66 7.41 0.00 -1.26 -4.74 105.19 110.34 4fis n GLY 44 Ca 0.00 -0.35 -0.43 0.00 0.00 0.00 0.00 46.02 45.24 4fis n GLY 44 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 4fis s GLN 45 N -1.79 4.23 0.45 1.61 -1.52 -0.48 -5.01 119.66 117.15 4fis s GLN 45 Ca 0.29 1.28 -0.11 0.00 -1.95 0.00 0.00 55.36 54.87 4fis s GLN 45 Cb 0.15 -3.65 -0.06 0.00 -0.22 0.00 0.00 33.01 29.23 4fis s GLN 45 CO 0.23 -0.63 0.83 0.16 -0.25 0.00 0.00 175.29 175.63 4fis s ASP 46 N 1.25 6.49 0.07 5.90 -4.77 -1.26 -4.86 116.67 119.48 4fis s ASP 46 Ca 0.43 1.21 0.09 0.00 -3.30 0.00 0.00 52.55 50.98 4fis s ASP 46 Cb -0.15 -2.36 -0.03 0.00 -1.09 0.00 0.00 42.92 39.29 4fis s ASP 46 CO 0.07 -0.50 -0.25 -0.69 0.70 0.00 0.00 175.17 174.50 4fis s VAL 47 N -2.53 2.02 0.00 2.11 1.01 -1.26 -5.02 120.40 116.72 4fis s VAL 47 Ca 0.53 -1.43 0.00 0.00 0.00 0.00 0.00 61.98 61.08 4fis s VAL 47 Cb -0.10 -1.75 0.00 0.00 0.00 0.00 0.00 36.38 34.53 4fis s VAL 47 CO 0.35 0.24 0.63 -0.46 0.00 0.00 0.00 175.10 175.86 4fis n ASN 48 N 1.57 0.00 -1.14 3.32 0.23 -1.26 -4.87 115.26 113.11 4fis n ASN 48 Ca -0.17 -1.29 0.02 0.00 -0.53 0.00 0.00 54.58 52.60 4fis n ASN 48 Cb 0.53 -0.06 0.00 0.00 -2.08 0.00 0.00 39.78 38.17 4fis n ASN 48 CO 0.00 0.00 0.00 -0.90 -0.93 0.00 0.00 177.26 175.43 4fis n ASP 49 N 0.00 0.47 0.14 0.53 5.75 -1.26 -4.95 116.55 117.23 4fis n ASP 49 Ca 0.00 -1.95 0.11 0.00 -0.01 0.00 0.00 54.79 52.94 4fis n ASP 49 Cb 0.56 -0.19 0.62 0.00 -1.03 0.00 0.00 41.12 41.07 4fis n ASP 49 CO 0.00 0.00 0.00 0.25 -0.11 0.00 0.00 177.20 177.34 4fis h LEU 50 N 0.58 0.09 -0.00 -2.12 5.85 -1.98 -0.92 115.31 116.81 4fis h LEU 50 Ca -0.20 -0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.51 4fis h LEU 50 Cb 1.67 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.69 4fis h LEU 50 CO 0.03 0.06 -0.05 0.22 -0.34 0.00 0.00 178.44 178.35 4fis h TYR 51 N 0.10 0.06 -0.78 1.25 3.20 -1.99 -0.08 116.97 118.73 4fis h TYR 51 Ca 0.10 -0.03 -0.05 0.00 3.14 0.00 0.00 58.73 61.89 4fis h TYR 51 Cb 0.29 -0.01 -0.03 0.00 1.54 0.00 0.00 36.73 38.52 4fis h TYR 51 CO -0.00 0.78 0.29 1.49 -1.64 0.00 0.00 178.16 179.08 4fis h GLU 52 N -0.68 1.17 0.43 1.82 4.57 -1.94 0.15 114.58 120.10 4fis h GLU 52 Ca -0.01 -0.22 -0.01 0.00 -1.18 0.00 0.00 59.36 57.94 4fis h GLU 52 Cb 0.79 -0.19 -0.01 0.00 -0.16 0.00 0.00 28.75 29.19 4fis h GLU 52 CO 0.01 0.96 -0.31 1.25 -1.18 0.00 0.00 179.01 179.74 4fis h LEU 53 N 1.14 -0.80 -1.27 1.64 5.85 -1.13 -1.32 115.31 119.42 4fis h LEU 53 Ca 0.26 0.06 0.04 0.00 0.84 0.00 0.00 57.88 59.07 4fis h LEU 53 Cb 0.24 0.25 -0.05 0.00 0.37 0.00 0.00 40.66 41.47 4fis h LEU 53 CO -0.02 -0.47 0.52 0.58 -0.34 0.00 0.00 178.44 178.71 4fis h VAL 54 N -0.73 1.10 -0.23 1.05 2.07 -0.77 -3.19 116.25 115.55 4fis h VAL 54 Ca -0.04 -0.32 -0.12 0.00 0.82 0.00 0.00 66.70 67.04 4fis h VAL 54 Cb 0.62 0.08 -0.00 0.00 -1.52 0.00 0.00 31.29 30.47 4fis h VAL 54 CO 0.02 0.17 -0.32 0.25 0.02 0.00 0.00 177.57 177.70 4fis h LEU 55 N 0.94 0.69 -1.08 2.57 5.85 -0.84 -2.00 115.31 121.43 4fis h LEU 55 Ca 0.32 -0.51 0.05 0.00 0.84 0.00 0.00 57.88 58.58 4fis h LEU 55 Cb 0.09 -0.20 -0.06 0.00 0.37 0.00 0.00 40.66 40.87 4fis h LEU 55 CO -0.10 1.06 0.62 0.00 -0.34 0.00 0.00 178.44 179.68 4fis h ALA 56 N 0.65 1.42 0.00 1.25 0.00 -1.27 0.24 119.26 121.56 4fis h ALA 56 Ca 0.03 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 4fis h ALA 56 Cb 0.91 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 4fis h ALA 56 CO 0.08 0.46 -0.27 1.49 0.00 0.00 0.00 179.25 181.01 4fis h GLU 57 N 1.15 0.00 0.01 0.00 4.57 -1.52 -2.80 114.58 115.99 4fis h GLU 57 Ca 0.39 0.00 -0.40 0.00 -1.18 0.00 0.00 59.36 58.17 4fis h GLU 57 Cb 0.08 0.00 -0.06 0.00 -0.16 0.00 0.00 28.75 28.62 4fis h GLU 57 CO -0.13 0.27 -2.25 0.28 -1.18 0.00 0.00 179.01 176.00 4fis n VAL 58 N -4.01 1.54 0.24 0.32 0.31 -0.76 -4.38 118.33 111.59 4fis n VAL 58 Ca -0.02 -0.36 0.10 0.00 -0.01 0.00 0.00 64.34 64.05 4fis n VAL 58 Cb 0.34 -1.83 0.58 0.00 -0.91 0.00 0.00 33.84 32.02 4fis n VAL 58 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 4fis h GLU 59 N -0.77 0.00 0.19 5.55 5.08 -0.62 -2.30 114.58 121.71 4fis h GLU 59 Ca -0.60 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 57.75 4fis h GLU 59 Cb 1.63 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.88 4fis h GLU 59 CO -0.30 0.20 -0.09 1.96 -1.00 0.00 0.00 179.01 179.78 4fis h GLN 60 N 0.00 -0.25 -0.22 2.33 4.20 -1.69 -0.52 115.11 118.96 4fis h GLN 60 Ca -0.00 0.02 0.04 0.00 0.06 0.00 0.00 58.65 58.76 4fis h GLN 60 Cb 0.53 0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.36 4fis h GLN 60 CO 0.03 0.13 0.15 -1.00 -0.67 0.00 0.00 178.83 177.47 4fis h PRO 61 N -0.91 0.12 0.68 1.46 0.13 -1.76 -1.83 132.00 129.90 4fis h PRO 61 Ca -0.03 -0.01 -0.03 0.00 -0.87 0.00 0.00 66.00 65.06 4fis h PRO 61 Cb 0.50 -0.03 0.01 0.00 0.13 0.00 0.00 31.00 31.61 4fis h PRO 61 CO 0.04 0.08 -0.33 1.25 -0.23 0.00 0.00 178.00 178.82 4fis h LEU 62 N 0.13 -0.78 -0.97 1.56 5.85 -1.24 -0.75 115.31 119.10 4fis h LEU 62 Ca 0.10 -0.01 0.17 0.00 0.84 0.00 0.00 57.88 58.98 4fis h LEU 62 Cb 0.23 0.20 -0.10 0.00 0.37 0.00 0.00 40.66 41.36 4fis h LEU 62 CO -0.01 -0.45 0.58 -0.07 -0.34 0.00 0.00 178.44 178.15 4fis h LEU 63 N -1.11 0.76 -0.40 2.25 4.07 -1.03 0.12 115.31 119.97 4fis h LEU 63 Ca -0.09 0.09 -0.07 0.00 0.08 0.00 0.00 57.88 57.88 4fis h LEU 63 Cb 0.74 -0.05 -0.01 0.00 1.08 0.00 0.00 40.66 42.41 4fis h LEU 63 CO 0.15 0.30 -0.02 -0.78 -1.08 0.00 0.00 178.44 177.02 4fis h ASP 64 N 0.78 0.71 0.36 -0.43 3.58 -1.06 -2.52 116.42 117.84 4fis h ASP 64 Ca 0.54 -0.32 -0.25 0.00 0.42 0.00 0.00 57.03 57.43 4fis h ASP 64 Cb 0.78 -0.19 0.01 0.00 1.72 0.00 0.00 39.33 41.65 4fis h ASP 64 CO -0.36 0.86 -1.05 0.24 -2.88 0.00 0.00 179.24 176.06 4fis h MET 65 N 0.54 0.42 -0.19 0.28 2.86 -0.00 -0.66 114.93 118.18 4fis h MET 65 Ca 0.11 -0.51 0.00 0.00 -2.06 0.00 0.00 59.70 57.24 4fis h MET 65 Cb 0.51 0.16 -0.01 0.00 0.06 0.00 0.00 31.60 32.32 4fis h MET 65 CO 0.02 1.17 0.12 0.28 1.06 0.00 0.00 176.91 179.57 4fis h VAL 66 N 0.21 1.06 -0.80 -2.22 2.07 -0.97 -2.46 116.25 113.14 4fis h VAL 66 Ca -0.11 -0.12 0.05 0.00 0.82 0.00 0.00 66.70 67.34 4fis h VAL 66 Cb 1.70 0.80 -0.05 0.00 -1.52 0.00 0.00 31.29 32.22 4fis h VAL 66 CO 0.18 0.05 0.50 0.24 0.02 0.00 0.00 177.57 178.56 4fis h MET 67 N 0.25 0.91 -0.64 1.57 2.07 -1.45 -0.56 114.93 117.07 4fis h MET 67 Ca 0.07 -0.05 0.05 0.00 -2.07 0.00 0.00 59.70 57.69 4fis h MET 67 Cb -0.02 -0.21 -0.05 0.00 -1.87 0.00 0.00 31.60 29.46 4fis h MET 67 CO -0.01 0.60 0.36 0.37 1.07 0.00 0.00 176.91 179.30 4fis h GLN 68 N 0.94 0.66 0.03 1.72 4.15 -0.78 0.12 115.11 121.94 4fis h GLN 68 Ca 0.34 -0.04 -0.00 0.00 0.77 0.00 0.00 58.65 59.71 4fis h GLN 68 Cb 0.09 -0.15 0.00 0.00 0.21 0.00 0.00 27.48 27.64 4fis h GLN 68 CO -0.14 0.44 -0.01 -0.92 -1.93 0.00 0.00 178.83 176.26 4fis h TYR 69 N 0.68 -0.04 -0.01 3.99 3.20 -1.08 -1.56 116.97 122.16 4fis h TYR 69 Ca 0.28 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.15 4fis h TYR 69 Cb 0.14 0.01 0.00 0.00 1.54 0.00 0.00 36.73 38.42 4fis h TYR 69 CO -0.07 0.23 -0.01 2.41 -1.64 0.00 0.00 178.16 179.07 4fis n THR 70 N -4.98 0.00 -3.83 1.81 -1.04 -0.25 -4.95 114.28 101.03 4fis n THR 70 Ca -0.08 -0.14 -0.24 0.00 -2.04 0.00 0.00 64.05 61.55 4fis n THR 70 Cb 0.16 0.08 0.01 0.00 -1.82 0.00 0.00 70.33 68.75 4fis n THR 70 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 4fis n ARG 71 N -0.36 -4.29 0.00 -2.82 1.74 0.20 -2.96 116.66 108.17 4fis n ARG 71 Ca 0.21 0.53 0.00 0.00 -0.77 0.00 0.00 57.85 57.81 4fis n ARG 71 Cb 0.26 -4.96 0.00 0.00 -1.02 0.00 0.00 32.46 26.74 4fis n ARG 71 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 4fis n GLY 72 N -1.73 1.97 3.60 -0.13 0.00 -0.03 -4.97 105.19 103.89 4fis n GLY 72 Ca -0.26 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.33 4fis n GLY 72 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 4fis s ASN 73 N -3.22 6.13 0.21 1.61 3.84 -1.15 -4.84 114.94 117.52 4fis s ASN 73 Ca 0.00 1.02 0.03 0.00 0.21 0.00 0.00 52.86 54.12 4fis s ASN 73 Cb 0.00 -2.53 0.17 0.00 -0.55 0.00 0.00 41.25 38.34 4fis s ASN 73 CO 0.00 -1.57 1.51 1.56 -2.79 0.00 0.00 177.10 175.81 4fis h GLN 74 N 11.69 0.26 -0.53 0.43 7.50 -1.93 -1.90 115.11 130.63 4fis h GLN 74 Ca -0.30 -0.20 -0.10 0.00 0.50 0.00 0.00 58.65 58.55 4fis h GLN 74 Cb 1.13 0.04 -0.02 0.00 0.05 0.00 0.00 27.48 28.68 4fis h GLN 74 CO 1.06 0.83 -0.07 1.15 -1.50 0.00 0.00 178.83 180.31 4fis h THR 75 N 0.18 1.26 -0.11 -0.54 2.02 -1.97 -0.22 112.91 113.54 4fis h THR 75 Ca -0.02 -1.19 -0.11 0.00 0.77 0.00 0.00 66.41 65.87 4fis h THR 75 Cb 1.20 0.93 0.00 0.00 -1.74 0.00 0.00 68.15 68.54 4fis h THR 75 CO 0.11 0.42 -0.34 0.03 0.37 0.00 0.00 175.52 176.10 4fis h ARG 76 N 0.86 0.43 -0.56 6.66 2.47 -1.94 -2.50 114.38 119.81 4fis h ARG 76 Ca 0.15 -0.31 -0.02 0.00 -1.26 0.00 0.00 59.98 58.53 4fis h ARG 76 Cb 0.60 0.05 -0.03 0.00 -1.65 0.00 0.00 29.97 28.95 4fis h ARG 76 CO 0.04 0.93 0.28 0.00 0.56 0.00 0.00 179.97 181.78 4fis h ALA 77 N 0.50 0.72 -0.20 0.04 0.00 -1.32 -1.56 119.26 117.44 4fis h ALA 77 Ca -0.01 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 4fis h ALA 77 Cb 0.96 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 4fis h ALA 77 CO 0.07 0.27 0.12 0.00 0.00 0.00 0.00 179.25 179.71 4fis h ALA 78 N 1.11 0.25 -0.84 0.00 0.00 -1.09 -1.45 119.26 117.24 4fis h ALA 78 Ca 0.19 -0.03 0.08 0.00 0.00 0.00 0.00 54.91 55.15 4fis h ALA 78 Cb 0.10 -0.08 -0.07 0.00 0.00 0.00 0.00 17.79 17.74 4fis h ALA 78 CO -0.03 -0.25 0.50 -0.07 0.00 0.00 0.00 179.25 179.41 4fis h LEU 79 N 0.24 0.76 -1.04 0.00 4.07 -1.35 -0.49 115.31 117.51 4fis h LEU 79 Ca 0.07 0.03 -0.01 0.00 0.08 0.00 0.00 57.88 58.05 4fis h LEU 79 Cb 0.01 -0.12 -0.04 0.00 1.08 0.00 0.00 40.66 41.59 4fis h LEU 79 CO -0.01 0.46 0.45 0.24 -1.08 0.00 0.00 178.44 178.49 4fis h MET 80 N 0.88 1.12 0.00 1.13 2.86 -0.99 -2.42 114.93 117.51 4fis h MET 80 Ca 0.39 -0.12 -0.06 0.00 -2.06 0.00 0.00 59.70 57.85 4fis h MET 80 Cb 0.28 -0.22 -0.01 0.00 0.06 0.00 0.00 31.60 31.71 4fis h MET 80 CO -0.21 0.82 -0.28 0.52 1.06 0.00 0.00 176.91 178.81 4fis h MET 81 N 1.13 0.00 -2.71 1.72 2.86 -0.52 -3.47 114.93 113.93 4fis h MET 81 Ca 0.29 0.00 -0.12 0.00 -2.06 0.00 0.00 59.70 57.81 4fis h MET 81 Cb 0.02 0.00 0.05 0.00 0.06 0.00 0.00 31.60 31.72 4fis h MET 81 CO -0.05 0.28 -0.22 0.41 1.06 0.00 0.00 176.91 178.39 4fis n GLY 82 N 1.17 0.39 3.20 8.32 0.00 -0.26 -5.06 105.19 112.95 4fis n GLY 82 Ca 0.03 -0.36 -0.20 0.00 0.00 0.00 0.00 46.02 45.49 4fis n GLY 82 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 4fis s ILE 83 N -3.10 1.29 0.28 -0.61 2.07 -1.03 -5.05 121.20 115.03 4fis s ILE 83 Ca 0.12 -1.33 -0.29 0.00 -1.41 0.00 0.00 60.65 57.74 4fis s ILE 83 Cb -0.05 -1.20 -0.09 0.00 0.13 0.00 0.00 42.46 41.24 4fis s ILE 83 CO 0.22 -0.14 1.05 0.21 -1.91 0.00 0.00 174.94 174.37 4fis s ASN 84 N -1.69 7.35 0.52 4.50 3.84 -1.26 -4.43 114.94 123.76 4fis s ASN 84 Ca 0.01 2.16 0.25 0.00 0.21 0.00 0.00 52.86 55.49 4fis s ASN 84 Cb -0.10 -2.62 1.37 0.00 -0.55 0.00 0.00 41.25 39.35 4fis s ASN 84 CO 0.03 -0.08 1.96 -0.09 -2.79 0.00 0.00 177.10 176.13 4fis h ARG 85 N 3.81 0.05 -0.70 0.43 2.43 -1.90 0.63 114.38 119.13 4fis h ARG 85 Ca -0.46 -0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 58.67 4fis h ARG 85 Cb 1.21 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.71 4fis h ARG 85 CO 0.67 0.04 0.32 0.78 -1.51 0.00 0.00 179.97 180.26 4fis h GLY 86 N 0.05 1.09 1.28 2.80 0.00 -1.98 -1.64 103.07 104.67 4fis h GLY 86 Ca 0.30 -0.56 -0.09 0.00 0.00 0.00 0.00 47.33 46.99 4fis h GLY 86 CO -0.02 0.53 -0.06 -0.84 0.00 0.00 0.00 176.54 176.15 4fis h THR 87 N 0.98 1.26 -0.33 4.70 2.02 -1.28 0.31 112.91 120.57 4fis h THR 87 Ca 0.24 -1.13 0.03 0.00 0.77 0.00 0.00 66.41 66.31 4fis h THR 87 Cb 0.14 0.94 -0.03 0.00 -1.74 0.00 0.00 68.15 67.47 4fis h THR 87 CO -0.03 0.40 0.15 0.25 0.37 0.00 0.00 175.52 176.66 4fis h LEU 88 N 0.79 0.20 -0.56 2.58 6.46 -0.82 -1.44 115.31 122.52 4fis h LEU 88 Ca 0.14 0.02 -0.16 0.00 -0.12 0.00 0.00 57.88 57.76 4fis h LEU 88 Cb 0.56 -0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 40.46 4fis h LEU 88 CO 0.03 0.15 -0.65 0.00 -0.62 0.00 0.00 178.44 177.36 4fis h LYS 90 N 0.20 1.05 -0.25 0.00 1.63 -0.88 0.16 116.57 118.48 4fis h LYS 90 Ca -0.01 -0.12 -0.17 0.00 -0.85 0.00 0.00 60.65 59.50 4fis h LYS 90 Cb 1.18 -0.21 -0.00 0.00 -0.60 0.00 0.00 32.23 32.60 4fis h LYS 90 CO 0.10 0.77 -0.53 0.87 -3.45 0.00 0.00 179.45 177.21 4fis h LYS 91 N 1.04 0.72 -0.51 1.90 1.57 -0.73 -1.73 116.57 118.83 4fis h LYS 91 Ca 0.27 -0.44 -0.04 0.00 -1.87 0.00 0.00 60.65 58.56 4fis h LYS 91 Cb 0.02 0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.35 4fis h LYS 91 CO -0.05 1.06 0.15 1.25 -0.57 0.00 0.00 179.45 181.30 4fis h LEU 92 N 0.55 0.75 0.66 2.94 5.85 -0.18 -2.82 115.31 123.07 4fis h LEU 92 Ca 0.02 -0.21 -0.03 0.00 0.84 0.00 0.00 57.88 58.50 4fis h LEU 92 Cb 1.10 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.92 4fis h LEU 92 CO 0.11 0.76 -0.48 0.50 -0.34 0.00 0.00 178.44 179.00 4fis h LYS 93 N 0.70 -1.05 -1.25 1.25 3.64 -0.87 -1.46 116.57 117.53 4fis h LYS 93 Ca 0.16 0.07 0.37 0.00 -1.27 0.00 0.00 60.65 59.98 4fis h LYS 93 Cb 0.29 0.24 -0.10 0.00 -0.41 0.00 0.00 32.23 32.25 4fis h LYS 93 CO -0.00 -0.70 0.83 -0.22 -2.27 0.00 0.00 179.45 177.09 4fis h LYS 94 N -1.09 0.16 -0.06 1.90 1.63 -1.23 0.47 116.57 118.35 4fis h LYS 94 Ca -0.08 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.71 4fis h LYS 94 Cb 0.90 -0.04 0.00 0.00 -0.60 0.00 0.00 32.23 32.50 4fis h LYS 94 CO 0.04 0.11 0.00 0.66 -3.45 0.00 0.00 179.45 176.81 4fis n TYR 95 N -4.50 0.04 -0.52 1.91 4.01 -1.01 -4.98 117.16 112.11 4fis n TYR 95 Ca 0.31 -0.02 0.00 0.00 -0.16 0.00 0.00 57.90 58.03 4fis n TYR 95 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 40.27 4fis n TYR 95 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 4fis n GLY 96 N 1.34 1.41 3.96 2.72 0.00 0.16 -5.00 105.19 109.79 4fis n GLY 96 Ca 0.15 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.95 4fis n GLY 96 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 4fis s MET 97 N -0.21 2.62 0.00 1.61 0.23 -0.79 -4.97 119.30 117.79 4fis s MET 97 Ca 0.00 -0.64 0.00 0.00 -1.03 0.00 0.00 55.69 54.02 4fis s MET 97 Cb 0.00 -2.46 0.00 0.00 -1.53 0.00 0.00 34.83 30.84 4fis s MET 97 CO 0.00 -0.68 0.00 0.09 -2.03 0.00 0.00 175.02 172.40