#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sn6 n ASP 2 N 0.00 -1.34 -0.01 6.43 5.68 -1.26 -4.97 116.55 121.08 1sn6 n ASP 2 Ca 0.00 -2.10 -0.01 0.00 -0.50 0.00 0.00 54.79 52.18 1sn6 n ASP 2 Cb 0.00 0.65 -0.00 0.00 -1.14 0.00 0.00 41.12 40.62 1sn6 n ASP 2 CO 0.00 0.00 0.00 0.52 -1.33 0.00 0.00 177.20 176.39 1sn6 n VAL 3 N -1.29 0.24 0.30 2.12 0.31 -1.26 -4.17 118.33 114.58 1sn6 n VAL 3 Ca -0.15 0.39 0.04 0.00 -0.01 0.00 0.00 64.34 64.61 1sn6 n VAL 3 Cb 0.83 -1.56 0.18 0.00 -0.91 0.00 0.00 33.84 32.38 1sn6 n VAL 3 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 1sn6 n TYR 4 N -2.80 0.00 -0.03 3.52 4.02 -1.26 -0.68 117.16 119.93 1sn6 n TYR 4 Ca -0.02 0.00 -0.20 0.00 -0.01 0.00 0.00 57.90 57.67 1sn6 n TYR 4 Cb 0.07 -0.46 -0.13 0.00 -0.02 0.00 0.00 39.34 38.80 1sn6 n TYR 4 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1sn6 h GLU 6 N -0.64 0.32 -0.32 0.00 5.08 -1.66 -3.08 114.58 114.27 1sn6 h GLU 6 Ca -0.22 -0.54 -0.03 0.00 -1.00 0.00 0.00 59.36 57.56 1sn6 h GLU 6 Cb 1.46 0.20 -0.01 0.00 0.50 0.00 0.00 28.75 30.89 1sn6 h GLU 6 CO -0.01 1.24 0.08 0.28 -1.00 0.00 0.00 179.01 179.61 1sn6 h VAL 7 N 0.09 1.22 0.21 3.13 2.07 -1.07 -2.94 116.25 118.95 1sn6 h VAL 7 Ca -0.18 -0.73 -0.01 0.00 0.82 0.00 0.00 66.70 66.60 1sn6 h VAL 7 Cb 2.02 1.09 0.00 0.00 -1.52 0.00 0.00 31.29 32.87 1sn6 h VAL 7 CO 0.21 0.24 -0.10 0.00 0.02 0.00 0.00 177.57 177.95 1sn6 h GLU 9 N -0.29 0.33 0.00 0.00 5.08 -1.47 0.89 114.58 119.12 1sn6 h GLU 9 Ca -0.03 -0.02 -0.08 0.00 -1.00 0.00 0.00 59.36 58.23 1sn6 h GLU 9 Cb 0.22 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 1sn6 h GLU 9 CO 0.05 0.22 -0.38 0.35 -1.00 0.00 0.00 179.01 178.25 1sn6 h PHE 10 N 0.34 0.00 0.17 4.33 3.57 -1.26 -2.92 116.94 121.16 1sn6 h PHE 10 Ca 0.63 0.00 -0.25 0.00 3.53 0.00 0.00 57.97 61.88 1sn6 h PHE 10 Cb 1.32 0.00 0.02 0.00 2.79 0.00 0.00 35.95 40.08 1sn6 h PHE 10 CO -0.11 0.38 -1.14 -0.07 -2.23 0.00 0.00 178.31 175.13 1sn6 h LEU 11 N 0.00 0.56 -1.66 0.59 3.38 0.14 -2.98 115.31 115.33 1sn6 h LEU 11 Ca -0.00 -0.93 -0.04 0.00 0.09 0.00 0.00 57.88 57.00 1sn6 h LEU 11 Cb 0.91 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.47 1sn6 h LEU 11 CO 0.05 1.54 -0.19 0.58 0.09 0.00 0.00 178.44 180.51 1sn6 h VAL 12 N -0.21 0.77 0.17 1.22 2.07 -0.92 -1.90 116.25 117.46 1sn6 h VAL 12 Ca -0.21 -0.76 -0.30 0.00 0.82 0.00 0.00 66.70 66.25 1sn6 h VAL 12 Cb 1.82 1.46 0.02 0.00 -1.52 0.00 0.00 31.29 33.07 1sn6 h VAL 12 CO 0.17 0.19 -1.34 0.50 0.02 0.00 0.00 177.57 177.10 1sn6 h LYS 13 N 0.00 0.36 0.42 1.57 3.64 -1.59 -2.95 116.57 118.03 1sn6 h LYS 13 Ca -0.00 -0.62 -0.02 0.00 -1.27 0.00 0.00 60.65 58.74 1sn6 h LYS 13 Cb 0.44 0.23 0.00 0.00 -0.41 0.00 0.00 32.23 32.50 1sn6 h LYS 13 CO 0.02 1.29 -0.20 1.49 -2.27 0.00 0.00 179.45 179.79 1sn6 h GLU 14 N 0.10 -0.55 -0.99 1.90 4.81 -1.34 -3.01 114.58 115.51 1sn6 h GLU 14 Ca -0.18 0.04 0.31 0.00 -0.13 0.00 0.00 59.36 59.39 1sn6 h GLU 14 Cb 2.04 0.12 -0.15 0.00 0.63 0.00 0.00 28.75 31.40 1sn6 h GLU 14 CO 0.23 -0.32 0.53 -0.24 -0.73 0.00 0.00 179.01 178.49 1sn6 h VAL 15 N -1.11 0.31 -0.58 0.32 3.04 -1.51 1.30 116.25 118.03 1sn6 h VAL 15 Ca -0.06 -0.11 0.11 0.00 -1.01 0.00 0.00 66.70 65.63 1sn6 h VAL 15 Cb 0.48 -0.04 -0.09 0.00 -2.01 0.00 0.00 31.29 29.63 1sn6 h VAL 15 CO 0.10 0.06 0.07 0.71 -1.01 0.00 0.00 177.57 177.49 1sn6 h THR 16 N 0.33 0.60 -1.01 3.17 1.35 -1.43 1.18 112.91 117.09 1sn6 h THR 16 Ca 0.71 -0.07 0.30 0.00 -0.55 0.00 0.00 66.41 66.81 1sn6 h THR 16 Cb 1.59 0.39 -0.14 0.00 -1.73 0.00 0.00 68.15 68.26 1sn6 h THR 16 CO -0.61 0.03 0.59 0.11 -0.25 0.00 0.00 175.52 175.40 1sn6 h LYS 17 N 0.19 0.38 0.11 4.72 1.57 0.18 2.26 116.57 125.98 1sn6 h LYS 17 Ca 0.30 -0.02 -0.35 0.00 -1.87 0.00 0.00 60.65 58.71 1sn6 h LYS 17 Cb 0.47 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.67 1sn6 h LYS 17 CO -0.44 0.25 -1.95 1.47 -0.57 0.00 0.00 179.45 178.21 1sn6 n LEU 18 N -4.98 2.37 0.14 2.94 -0.00 0.96 -3.84 117.00 114.59 1sn6 n LEU 18 Ca 0.30 0.24 0.12 0.00 -0.00 0.00 0.00 56.01 56.68 1sn6 n LEU 18 Cb 0.93 -0.93 0.50 0.00 -0.00 0.00 0.00 43.42 43.93 1sn6 n LEU 18 CO 0.12 0.78 0.86 -0.38 -0.00 0.00 0.00 177.39 178.78 1sn6 n ILE 19 N -3.42 0.82 -0.34 1.47 5.41 0.37 -2.84 119.36 120.83 1sn6 n ILE 19 Ca -0.29 0.22 0.16 0.00 1.00 0.00 0.00 62.75 63.84 1sn6 n ILE 19 Cb 1.05 -1.17 0.31 0.00 -0.71 0.00 0.00 39.64 39.13 1sn6 n ILE 19 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 176.55 176.99 1sn6 h ASP 20 N 0.00 -0.42 0.00 4.38 3.32 0.36 -3.30 116.42 120.76 1sn6 h ASP 20 Ca 0.00 0.28 -0.13 0.00 0.02 0.00 0.00 57.03 57.20 1sn6 h ASP 20 Cb 0.37 0.47 -0.15 0.00 0.22 0.00 0.00 39.33 40.25 1sn6 h ASP 20 CO 0.00 -0.36 -0.34 0.59 -1.72 0.00 0.00 179.24 177.41 1sn6 n ASN 21 N -5.47 -0.85 -0.07 6.45 4.13 -1.24 -4.95 115.26 113.25 1sn6 n ASN 21 Ca 0.24 -1.99 -0.15 0.00 1.68 0.00 0.00 54.58 54.36 1sn6 n ASN 21 Cb 0.80 0.26 -0.06 0.00 -1.54 0.00 0.00 39.78 39.24 1sn6 n ASN 21 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 1sn6 n ASN 22 N 0.03 1.48 -3.30 6.41 5.03 -1.13 -4.68 115.26 119.11 1sn6 n ASN 22 Ca -0.25 0.12 -0.26 0.00 0.87 0.00 0.00 54.58 55.06 1sn6 n ASN 22 Cb 0.73 -0.39 -0.04 0.00 -1.02 0.00 0.00 39.78 39.06 1sn6 n ASN 22 CO 0.00 0.00 0.00 1.17 -1.83 0.00 0.00 177.26 176.60 1sn6 n LYS 23 N -3.49 1.16 -0.44 3.52 0.00 -1.26 -4.89 118.16 112.75 1sn6 n LYS 23 Ca -0.28 -1.27 -0.29 0.00 0.00 0.00 0.00 58.31 56.46 1sn6 n LYS 23 Cb 0.72 -2.47 0.27 0.00 0.00 0.00 0.00 35.03 33.55 1sn6 n LYS 23 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 1sn6 s THR 24 N 4.69 1.67 -1.65 3.15 -4.23 -1.26 -4.95 115.64 113.07 1sn6 s THR 24 Ca 0.39 0.00 0.19 0.00 -1.18 0.00 0.00 61.69 61.09 1sn6 s THR 24 Cb 0.10 -2.05 -0.03 0.00 1.34 0.00 0.00 72.50 71.85 1sn6 s THR 24 CO 0.07 0.00 0.95 -0.62 -0.54 0.00 0.00 174.62 174.48 1sn6 n GLU 25 N -5.28 1.38 0.10 3.99 4.71 -1.26 -4.09 120.64 120.18 1sn6 n GLU 25 Ca 0.06 -0.79 -0.20 0.00 -0.01 0.00 0.00 57.16 56.22 1sn6 n GLU 25 Cb 0.57 -1.38 -0.13 0.00 -1.01 0.00 0.00 31.44 29.49 1sn6 n GLU 25 CO 0.00 0.00 0.00 0.87 0.09 0.00 0.00 177.13 178.09 1sn6 h LYS 26 N 1.84 0.51 0.00 3.49 1.57 -1.98 -2.30 116.57 119.70 1sn6 h LYS 26 Ca 0.00 -0.73 -0.05 0.00 -1.87 0.00 0.00 60.65 58.00 1sn6 h LYS 26 Cb 0.63 0.25 -0.01 0.00 0.08 0.00 0.00 32.23 33.18 1sn6 h LYS 26 CO 0.00 1.32 -0.25 1.49 -0.57 0.00 0.00 179.45 181.44 1sn6 h GLU 27 N 0.21 0.00 0.00 3.15 4.57 -1.97 -2.99 114.58 117.55 1sn6 h GLU 27 Ca -0.18 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.00 1sn6 h GLU 27 Cb 1.93 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.52 1sn6 h GLU 27 CO 0.23 0.25 0.00 -0.89 -1.18 0.00 0.00 179.01 177.42 1sn6 n ILE 28 N -3.38 0.00 -0.53 2.32 2.08 -1.17 -2.59 119.36 116.09 1sn6 n ILE 28 Ca 0.00 0.36 0.45 0.00 0.56 0.00 0.00 62.75 64.12 1sn6 n ILE 28 Cb 0.46 -1.09 0.79 0.00 -0.75 0.00 0.00 39.64 39.05 1sn6 n ILE 28 CO 0.00 0.00 0.00 -0.07 0.56 0.00 0.00 176.55 177.04 1sn6 h LEU 29 N 0.00 0.00 0.18 1.39 3.38 -1.56 0.97 115.31 119.66 1sn6 h LEU 29 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1sn6 h LEU 29 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1sn6 h LEU 29 CO 0.00 0.00 -0.09 -0.78 0.09 0.00 0.00 178.44 177.66 1sn6 h ASP 30 N 0.00 -0.20 -0.86 -0.43 3.58 -1.65 -2.95 116.42 113.91 1sn6 h ASP 30 Ca 0.76 -0.30 0.22 0.00 0.42 0.00 0.00 57.03 58.14 1sn6 h ASP 30 Cb 3.08 0.05 -0.15 0.00 1.72 0.00 0.00 39.33 44.04 1sn6 h ASP 30 CO -0.01 0.23 0.09 0.00 -2.88 0.00 0.00 179.24 176.67 1sn6 h ALA 31 N 0.00 1.06 -0.94 -0.78 0.00 0.12 2.12 119.26 120.85 1sn6 h ALA 31 Ca -0.02 0.26 0.13 0.00 0.00 0.00 0.00 54.91 55.28 1sn6 h ALA 31 Cb 0.49 0.43 -0.08 0.00 0.00 0.00 0.00 17.79 18.63 1sn6 h ALA 31 CO 0.04 -0.48 0.60 0.74 0.00 0.00 0.00 179.25 180.15 1sn6 h PHE 32 N 0.11 0.96 0.00 0.00 -1.00 -1.28 2.80 116.94 118.54 1sn6 h PHE 32 Ca 0.51 0.03 0.00 0.00 2.81 0.00 0.00 57.97 61.32 1sn6 h PHE 32 Cb 1.00 -0.30 0.00 0.00 3.61 0.00 0.00 35.95 40.26 1sn6 h PHE 32 CO -0.39 0.36 0.00 -0.25 -1.61 0.00 0.00 178.31 176.42 1sn6 n ASP 33 N -4.59 0.00 0.00 2.17 8.00 0.71 -1.03 116.55 121.81 1sn6 n ASP 33 Ca 0.18 0.33 0.00 0.00 0.71 0.00 0.00 54.79 56.01 1sn6 n ASP 33 Cb 0.42 -0.37 0.00 0.00 -0.02 0.00 0.00 41.12 41.15 1sn6 n ASP 33 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1sn6 n LYS 34 N -1.37 0.00 -0.25 -1.24 5.02 0.87 -4.37 118.16 116.82 1sn6 n LYS 34 Ca 0.02 0.00 -0.08 0.00 -2.02 0.00 0.00 58.31 56.23 1sn6 n LYS 34 Cb 0.05 -0.14 0.04 0.00 -0.02 0.00 0.00 35.03 34.96 1sn6 n LYS 34 CO 0.00 0.00 0.00 1.98 -0.52 0.00 0.00 177.40 178.86 1sn6 h MET 35 N 0.00 1.10 -0.54 1.97 1.85 0.64 -0.95 114.93 118.99 1sn6 h MET 35 Ca 0.00 -0.27 0.00 0.00 -0.61 0.00 0.00 59.70 58.82 1sn6 h MET 35 Cb 0.00 -0.14 0.00 0.00 0.43 0.00 0.00 31.60 31.89 1sn6 h MET 35 CO 0.00 0.98 0.00 0.00 -0.40 0.00 0.00 176.91 177.49 1sn6 h SER 37 N 1.56 0.07 1.01 0.00 4.64 -0.75 -3.34 113.55 116.74 1sn6 h SER 37 Ca 0.00 -0.62 0.00 0.00 -0.47 0.00 0.00 61.79 60.70 1sn6 h SER 37 Cb 0.69 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.76 1sn6 h SER 37 CO 0.09 1.50 0.00 0.07 -0.87 0.00 0.00 176.83 177.62 1sn6 h LYS 38 N -0.84 0.00 -6.36 4.77 2.10 -1.63 -3.45 116.57 111.16 1sn6 h LYS 38 Ca -0.33 0.00 -0.64 0.00 -2.00 0.00 0.00 60.65 57.69 1sn6 h LYS 38 Cb 1.39 0.00 0.09 0.00 -0.90 0.00 0.00 32.23 32.80 1sn6 h LYS 38 CO -0.15 0.00 0.23 -0.11 -2.00 0.00 0.00 179.45 177.42 1sn6 n LEU 39 N -3.04 1.55 -4.60 7.07 7.94 -1.25 -4.77 117.00 119.90 1sn6 n LEU 39 Ca 0.01 1.15 -0.51 0.00 -1.11 0.00 0.00 56.01 55.55 1sn6 n LEU 39 Cb 0.30 -1.23 -0.05 0.00 0.53 0.00 0.00 43.42 42.97 1sn6 n LEU 39 CO 0.27 -1.35 0.91 -2.65 -1.11 0.00 0.00 177.39 173.46 1sn6 n PRO 40 N 1.52 1.28 -0.25 1.96 -0.02 -1.26 -4.38 135.00 133.85 1sn6 n PRO 40 Ca 0.14 0.46 -0.01 0.00 -2.02 0.00 0.00 63.50 62.07 1sn6 n PRO 40 Cb 0.26 -2.10 0.02 0.00 -0.02 0.00 0.00 33.50 31.67 1sn6 n PRO 40 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1sn6 n LYS 41 N 2.51 -0.16 -0.02 -0.52 4.81 -1.26 0.22 118.16 123.74 1sn6 n LYS 41 Ca 0.18 1.01 -0.10 0.00 -0.87 0.00 0.00 58.31 58.52 1sn6 n LYS 41 Cb 0.21 -1.50 -0.07 0.00 0.02 0.00 0.00 35.03 33.70 1sn6 n LYS 41 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 1sn6 h SER 42 N 0.00 -1.23 0.02 3.14 0.87 -2.01 0.24 113.55 114.58 1sn6 h SER 42 Ca 0.22 0.15 0.00 0.00 -1.23 0.00 0.00 61.79 60.93 1sn6 h SER 42 Cb 0.39 0.48 0.00 0.00 -0.44 0.00 0.00 62.40 62.83 1sn6 h SER 42 CO -0.65 -0.33 0.00 0.18 -0.53 0.00 0.00 176.83 175.50 1sn6 n LEU 43 N -4.56 0.00 -0.01 2.23 4.77 0.01 -2.62 117.00 116.82 1sn6 n LEU 43 Ca -0.04 0.01 -0.07 0.00 -0.03 0.00 0.00 56.01 55.88 1sn6 n LEU 43 Cb 0.26 -0.01 -0.13 0.00 -2.33 0.00 0.00 43.42 41.21 1sn6 n LEU 43 CO 0.05 -0.00 -0.46 0.77 -1.33 0.00 0.00 177.39 176.42 1sn6 h SER 44 N 0.00 0.00 0.87 -1.43 4.64 0.28 -2.19 113.55 115.73 1sn6 h SER 44 Ca 0.00 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 61.10 1sn6 h SER 44 Cb 0.01 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.08 1sn6 h SER 44 CO 0.00 0.92 -1.01 1.05 -0.87 0.00 0.00 176.83 176.92 1sn6 h GLU 45 N 0.00 0.07 0.00 4.77 -0.00 -0.54 -2.90 114.58 115.97 1sn6 h GLU 45 Ca -0.25 -0.11 -0.10 0.00 -0.00 0.00 0.00 59.36 58.90 1sn6 h GLU 45 Cb 1.93 0.04 -0.02 0.00 -0.00 0.00 0.00 28.75 30.70 1sn6 h GLU 45 CO 0.07 1.02 -0.68 0.93 -0.00 0.00 0.00 179.01 180.35 1sn6 h GLU 46 N 0.02 0.00 -0.01 1.06 5.08 -1.63 -2.37 114.58 116.74 1sn6 h GLU 46 Ca -0.04 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.16 1sn6 h GLU 46 Cb 1.75 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.98 1sn6 h GLU 46 CO 0.14 0.38 -0.75 0.00 -1.00 0.00 0.00 179.01 177.77 1sn6 h GLN 48 N 0.03 0.00 0.06 0.00 1.08 -1.55 -3.06 115.11 111.67 1sn6 h GLN 48 Ca -0.01 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.18 1sn6 h GLN 48 Cb 1.33 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.76 1sn6 h GLN 48 CO 0.10 0.00 -0.03 1.49 -0.95 0.00 0.00 178.83 179.45 1sn6 h GLU 49 N 0.00 -0.07 -0.46 1.46 4.57 -1.10 -3.01 114.58 115.96 1sn6 h GLU 49 Ca 0.00 0.00 -0.06 0.00 -1.18 0.00 0.00 59.36 58.12 1sn6 h GLU 49 Cb 0.87 0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 29.46 1sn6 h GLU 49 CO 0.00 0.44 0.04 0.28 -1.18 0.00 0.00 179.01 178.58 1sn6 h VAL 50 N -0.63 1.26 -0.71 0.32 2.07 -1.55 -2.98 116.25 114.03 1sn6 h VAL 50 Ca -0.01 -0.98 0.12 0.00 0.82 0.00 0.00 66.70 66.65 1sn6 h VAL 50 Cb 0.54 0.99 -0.13 0.00 -1.52 0.00 0.00 31.29 31.18 1sn6 h VAL 50 CO 0.01 0.34 -0.37 0.58 0.02 0.00 0.00 177.57 178.15 1sn6 h VAL 51 N 0.64 0.11 -0.93 2.57 2.07 -1.57 4.13 116.25 123.28 1sn6 h VAL 51 Ca 0.14 0.00 0.20 0.00 0.82 0.00 0.00 66.70 67.86 1sn6 h VAL 51 Cb 0.45 0.11 -0.07 0.00 -1.52 0.00 0.00 31.29 30.25 1sn6 h VAL 51 CO 0.02 0.00 0.60 -0.78 0.02 0.00 0.00 177.57 177.43 1sn6 h ASP 52 N -0.12 0.48 1.32 0.57 3.58 -1.39 0.80 116.42 121.66 1sn6 h ASP 52 Ca 0.25 0.05 -0.11 0.00 0.42 0.00 0.00 57.03 57.65 1sn6 h ASP 52 Cb 0.56 -0.04 -0.02 0.00 1.72 0.00 0.00 39.33 41.56 1sn6 h ASP 52 CO -0.77 0.19 -0.70 0.74 -2.88 0.00 0.00 179.24 175.81 1sn6 h THR 53 N 0.48 0.68 -2.71 2.25 2.02 0.47 -3.39 112.91 112.71 1sn6 h THR 53 Ca 0.49 -2.03 -0.60 0.00 0.77 0.00 0.00 66.41 65.04 1sn6 h THR 53 Cb 1.12 2.26 -0.40 0.00 -1.74 0.00 0.00 68.15 69.39 1sn6 h THR 53 CO -0.21 0.39 -0.79 -0.31 0.37 0.00 0.00 175.52 174.97 1sn6 s TYR 54 N -2.99 2.23 0.00 3.16 1.51 1.17 -4.86 117.35 117.56 1sn6 s TYR 54 Ca 0.02 -2.78 0.00 0.00 -1.01 0.00 0.00 57.07 53.30 1sn6 s TYR 54 Cb 0.08 -1.75 0.00 0.00 -0.11 0.00 0.00 41.96 40.18 1sn6 s TYR 54 CO 0.76 -0.70 0.00 0.41 -1.11 0.00 0.00 175.55 174.91 1sn6 n GLY 55 N 2.48 1.00 0.22 0.71 0.00 -0.11 -4.36 105.19 105.14 1sn6 n GLY 55 Ca 0.24 -0.01 0.05 0.00 0.00 0.00 0.00 46.02 46.31 1sn6 n GLY 55 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1sn6 h SER 56 N 0.00 0.00 0.00 1.61 0.02 -1.88 -1.77 113.55 111.54 1sn6 h SER 56 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1sn6 h SER 56 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1sn6 h SER 56 CO 0.00 0.00 0.00 -1.20 -1.14 0.00 0.00 176.83 174.49 1sn6 n SER 57 N -2.19 0.00 -0.15 3.07 7.64 -1.26 -2.87 113.62 117.86 1sn6 n SER 57 Ca -0.01 0.00 0.09 0.00 1.01 0.00 0.00 58.87 59.97 1sn6 n SER 57 Cb 0.58 0.00 0.18 0.00 -1.01 0.00 0.00 64.21 63.96 1sn6 n SER 57 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1sn6 n ILE 58 N -0.97 -0.19 -0.03 0.44 3.06 -1.14 0.23 119.36 120.77 1sn6 n ILE 58 Ca 0.00 0.95 -0.13 0.00 -2.50 0.00 0.00 62.75 61.07 1sn6 n ILE 58 Cb 0.00 -1.43 -0.11 0.00 0.54 0.00 0.00 39.64 38.64 1sn6 n ILE 58 CO 0.00 0.00 0.00 -0.07 -2.50 0.00 0.00 176.55 173.98 1sn6 h LEU 59 N 0.00 -0.03 -0.86 9.51 3.38 -1.54 -3.31 115.31 122.46 1sn6 h LEU 59 Ca 0.31 -0.67 0.00 0.00 0.09 0.00 0.00 57.88 57.61 1sn6 h LEU 59 Cb 0.71 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.47 1sn6 h LEU 59 CO -0.39 0.68 0.00 -0.24 0.09 0.00 0.00 178.44 178.58 1sn6 n SER 60 N -4.76 1.33 -0.07 -0.43 2.88 0.47 -4.19 113.62 108.85 1sn6 n SER 60 Ca -0.09 -1.47 -0.10 0.00 -1.33 0.00 0.00 58.87 55.89 1sn6 n SER 60 Cb 0.34 -0.01 -0.07 0.00 -0.75 0.00 0.00 64.21 63.72 1sn6 n SER 60 CO 0.00 0.00 0.00 -0.29 -1.23 0.00 0.00 175.04 173.52 1sn6 h ILE 61 N 2.05 0.85 0.00 2.46 -0.00 0.28 -3.27 117.51 119.89 1sn6 h ILE 61 Ca 0.00 -1.73 0.00 0.00 -0.00 0.00 0.00 64.86 63.13 1sn6 h ILE 61 Cb 0.44 1.71 0.00 0.00 -0.00 0.00 0.00 36.82 38.96 1sn6 h ILE 61 CO 0.00 0.29 0.11 0.18 -0.00 0.00 0.00 178.15 178.73 1sn6 n LEU 62 N -4.63 0.00 -0.06 2.19 4.77 -1.25 -1.93 117.00 116.09 1sn6 n LEU 62 Ca -0.11 0.14 -0.06 0.00 -0.03 0.00 0.00 56.01 55.95 1sn6 n LEU 62 Cb 0.35 -0.14 -0.05 0.00 -2.33 0.00 0.00 43.42 41.25 1sn6 n LEU 62 CO 0.18 -0.14 -0.03 -0.07 -1.33 0.00 0.00 177.39 176.00 1sn6 h LEU 63 N 0.00 0.00 0.00 2.23 -0.00 -1.78 -3.45 115.31 112.31 1sn6 h LEU 63 Ca 0.00 -0.29 0.00 0.00 -0.00 0.00 0.00 57.88 57.59 1sn6 h LEU 63 Cb 0.21 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.87 1sn6 h LEU 63 CO 0.00 0.77 -0.11 -0.62 -0.00 0.00 0.00 178.44 178.48 1sn6 n GLU 64 N -4.67 0.00 0.28 1.13 1.02 -0.81 -4.79 120.64 112.78 1sn6 n GLU 64 Ca -0.07 0.00 0.02 0.00 -0.02 0.00 0.00 57.16 57.09 1sn6 n GLU 64 Cb 0.23 -0.19 0.11 0.00 -0.02 0.00 0.00 31.44 31.57 1sn6 n GLU 64 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1sn6 h GLU 65 N 0.00 0.00 -3.33 3.49 4.39 -1.82 -3.35 114.58 113.96 1sn6 h GLU 65 Ca 0.00 0.00 -0.26 0.00 0.34 0.00 0.00 59.36 59.44 1sn6 h GLU 65 Cb 0.11 0.00 -0.32 0.00 -0.10 0.00 0.00 28.75 28.44 1sn6 h GLU 65 CO 0.00 0.00 -0.64 0.54 -1.16 0.00 0.00 179.01 177.75 1sn6 s VAL 66 N -3.69 -0.05 0.76 3.13 0.11 -1.22 -5.06 120.40 114.38 1sn6 s VAL 66 Ca -0.00 0.20 -0.11 0.00 -2.93 0.00 0.00 61.98 59.13 1sn6 s VAL 66 Cb 0.01 -0.19 0.05 0.00 -1.53 0.00 0.00 36.38 34.72 1sn6 s VAL 66 CO 0.04 0.08 1.08 -0.55 -3.33 0.00 0.00 175.10 172.42 1sn6 s SER 67 N 1.16 4.71 0.08 3.54 0.15 -1.26 -4.50 113.70 117.58 1sn6 s SER 67 Ca -0.09 1.61 -0.22 0.00 0.70 0.00 0.00 55.95 57.95 1sn6 s SER 67 Cb -0.12 -2.38 -0.12 0.00 -1.71 0.00 0.00 66.02 61.69 1sn6 s SER 67 CO -0.05 -1.87 1.64 1.55 1.20 0.00 0.00 173.24 175.71 1sn6 h PRO 68 N -1.02 0.17 -0.13 5.44 0.13 -1.86 -2.82 132.00 131.91 1sn6 h PRO 68 Ca -0.45 -0.03 -0.03 0.00 -0.87 0.00 0.00 66.00 64.63 1sn6 h PRO 68 Cb 1.24 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 1sn6 h PRO 68 CO 0.55 0.25 -0.04 1.05 -0.23 0.00 0.00 178.00 179.58 1sn6 h GLU 69 N 0.05 0.19 -0.06 0.86 4.11 -1.89 -2.70 114.58 115.14 1sn6 h GLU 69 Ca 0.04 -0.03 -0.01 0.00 0.07 0.00 0.00 59.36 59.43 1sn6 h GLU 69 Cb 0.13 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.35 1sn6 h GLU 69 CO -0.00 0.24 0.01 1.25 0.07 0.00 0.00 179.01 180.58 1sn6 h LEU 70 N 0.18 0.09 -0.66 3.06 5.85 -1.88 -3.00 115.31 118.95 1sn6 h LEU 70 Ca 0.04 -0.27 0.10 0.00 0.84 0.00 0.00 57.88 58.59 1sn6 h LEU 70 Cb 0.20 -0.02 -0.11 0.00 0.37 0.00 0.00 40.66 41.09 1sn6 h LEU 70 CO 0.01 0.34 -0.43 0.58 -0.34 0.00 0.00 178.44 178.60 1sn6 h VAL 71 N -0.16 0.08 -1.04 1.05 2.07 -1.24 2.09 116.25 119.10 1sn6 h VAL 71 Ca 0.02 0.00 0.29 0.00 0.82 0.00 0.00 66.70 67.82 1sn6 h VAL 71 Cb 0.29 0.08 -0.06 0.00 -1.52 0.00 0.00 31.29 30.08 1sn6 h VAL 71 CO 0.00 0.00 0.72 0.00 0.02 0.00 0.00 177.57 178.31 1sn6 h SER 73 N 0.14 -0.26 -0.66 0.00 0.87 0.33 -2.29 113.55 111.67 1sn6 h SER 73 Ca 0.52 -0.12 0.13 0.00 -1.23 0.00 0.00 61.79 61.09 1sn6 h SER 73 Cb 1.81 0.07 -0.09 0.00 -0.44 0.00 0.00 62.40 63.74 1sn6 h SER 73 CO -0.10 0.24 0.19 0.24 -0.53 0.00 0.00 176.83 176.87 1sn6 h MET 74 N -1.04 0.31 0.00 2.24 2.86 0.11 1.02 114.93 120.43 1sn6 h MET 74 Ca -0.03 -0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 57.59 1sn6 h MET 74 Cb 0.37 -0.07 -0.00 0.00 0.06 0.00 0.00 31.60 31.96 1sn6 h MET 74 CO 0.05 0.20 -0.00 -0.07 1.06 0.00 0.00 176.91 178.16 1sn6 h LEU 75 N 0.32 0.00 -0.89 1.22 3.38 0.26 -3.45 115.31 116.15 1sn6 h LEU 75 Ca 0.36 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.80 1sn6 h LEU 75 Cb 0.54 0.00 -0.18 0.00 0.09 0.00 0.00 40.66 41.11 1sn6 h LEU 75 CO -0.42 0.00 -0.79 1.41 0.09 0.00 0.00 178.44 178.74 1sn6 n HIS 76 N -3.72 -1.81 1.32 1.13 8.25 0.35 -4.78 115.22 115.97 1sn6 n HIS 76 Ca -0.03 0.77 0.14 0.00 -0.26 0.00 0.00 57.72 58.34 1sn6 n HIS 76 Cb 0.08 -3.01 0.69 0.00 1.12 0.00 0.00 29.99 28.86 1sn6 n HIS 76 CO 0.00 0.00 0.00 1.47 0.64 0.00 0.00 176.34 178.45 1sn6 n LEU 77 N -4.33 0.11 -0.47 2.41 -0.00 -1.25 -2.98 117.00 110.49 1sn6 n LEU 77 Ca 0.07 0.26 0.05 0.00 -0.00 0.00 0.00 56.01 56.40 1sn6 n LEU 77 Cb 0.50 -0.31 0.07 0.00 -0.00 0.00 0.00 43.42 43.68 1sn6 n LEU 77 CO 0.81 0.02 0.48 0.00 -0.00 0.00 0.00 177.39 178.70 1sn6 n SER 79 N 0.55 1.75 0.08 0.00 7.64 -1.16 -4.71 113.62 117.77 1sn6 n SER 79 Ca 0.07 -0.60 -0.03 0.00 1.01 0.00 0.00 58.87 59.33 1sn6 n SER 79 Cb 0.31 -1.46 -0.06 0.00 -1.01 0.00 0.00 64.21 61.99 1sn6 n SER 79 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 1sn6 h GLY 80 N 18.71 0.00 -0.28 0.23 0.00 -1.92 -3.47 103.07 116.33 1sn6 h GLY 80 Ca -0.15 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 46.90 1sn6 h GLY 80 CO 1.19 0.00 -0.22 1.47 0.00 0.00 0.00 176.54 178.98 1sn6 n LEU 81 N -3.21 0.00 -4.71 3.11 -0.00 -1.26 -5.10 117.00 105.82 1sn6 n LEU 81 Ca -0.02 -1.46 -0.41 0.00 -0.00 0.00 0.00 56.01 54.11 1sn6 n LEU 81 Cb 0.86 0.34 -0.03 0.00 -0.00 0.00 0.00 43.42 44.59 1sn6 n LEU 81 CO 0.44 -0.22 0.61 0.68 -0.00 0.00 0.00 177.39 178.90 1sn6 s VAL 82 N -2.07 4.90 -0.09 1.47 -7.23 -1.26 -4.93 120.40 111.19 1sn6 s VAL 82 Ca 0.05 1.91 -0.40 0.00 -1.81 0.00 0.00 61.98 61.74 1sn6 s VAL 82 Cb 0.00 -4.25 -0.18 0.00 0.56 0.00 0.00 36.38 32.51 1sn6 s VAL 82 CO 0.04 0.19 1.40 -2.65 -0.31 0.00 0.00 175.10 173.76 1sn6 n PRO 83 N 3.84 0.73 0.00 4.82 -0.02 -1.26 -5.20 135.00 137.91 1sn6 n PRO 83 Ca 0.04 0.26 0.13 0.00 -2.02 0.00 0.00 63.50 61.92 1sn6 n PRO 83 Cb 0.51 -1.86 0.80 0.00 -0.02 0.00 0.00 33.50 32.92 1sn6 n PRO 83 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02