#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 -0.98 -0.05 6.43 2.03 -1.26 -4.84 116.55 117.88 1sn6 n ASP 2 Ca 0.00 -1.72 -0.03 0.00 0.52 0.00 0.00 54.79 53.57 1sn6 n ASP 2 Cb 0.00 0.60 -0.01 0.00 -0.72 0.00 0.00 41.12 40.99 1sn6 n ASP 2 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 1sn6 h VAL 3 N 1.47 0.00 -0.95 5.18 2.07 -1.98 -3.37 116.25 118.67 1sn6 h VAL 3 Ca -0.31 -0.83 0.05 0.00 0.82 0.00 0.00 66.70 66.42 1sn6 h VAL 3 Cb 1.19 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 30.90 1sn6 h VAL 3 CO -0.12 0.00 0.62 1.88 0.02 0.00 0.00 177.57 179.98 1sn6 h TYR 4 N -0.83 1.15 -1.29 1.57 0.05 -1.96 -1.09 116.97 114.57 1sn6 h TYR 4 Ca 0.00 0.03 0.37 0.00 0.05 0.00 0.00 58.73 59.18 1sn6 h TYR 4 Cb 0.28 -0.38 -0.07 0.00 1.01 0.00 0.00 36.73 37.57 1sn6 h TYR 4 CO -0.12 0.64 0.90 0.00 -1.05 0.00 0.00 178.16 178.53 1sn6 h GLU 6 N 0.08 0.16 0.06 0.00 5.08 -1.36 -2.97 114.58 115.62 1sn6 h GLU 6 Ca 0.65 -0.27 -0.12 0.00 -1.00 0.00 0.00 59.36 58.62 1sn6 h GLU 6 Cb 2.38 0.10 0.01 0.00 0.50 0.00 0.00 28.75 31.74 1sn6 h GLU 6 CO -0.10 0.96 -0.50 0.28 -1.00 0.00 0.00 179.01 178.64 1sn6 h VAL 7 N 0.04 1.56 -0.02 3.13 2.07 0.16 -3.02 116.25 120.17 1sn6 h VAL 7 Ca -0.24 -2.29 -0.00 0.00 0.82 0.00 0.00 66.70 64.99 1sn6 h VAL 7 Cb 1.98 3.03 -0.00 0.00 -1.52 0.00 0.00 31.29 34.79 1sn6 h VAL 7 CO 0.13 0.64 0.00 0.00 0.02 0.00 0.00 177.57 178.36 1sn6 h GLU 9 N -0.23 0.61 -0.83 0.00 4.11 -1.66 0.86 114.58 117.44 1sn6 h GLU 9 Ca 0.01 -0.04 0.05 0.00 0.07 0.00 0.00 59.36 59.45 1sn6 h GLU 9 Cb 0.27 -0.14 -0.06 0.00 0.50 0.00 0.00 28.75 29.32 1sn6 h GLU 9 CO 0.00 0.40 0.52 0.35 0.07 0.00 0.00 179.01 180.35 1sn6 h PHE 10 N 0.63 0.96 0.00 2.06 3.57 -1.38 0.23 116.94 123.01 1sn6 h PHE 10 Ca 0.39 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.91 1sn6 h PHE 10 Cb 0.46 -0.31 -0.00 0.00 2.79 0.00 0.00 35.95 38.89 1sn6 h PHE 10 CO -0.10 0.50 -0.05 -0.07 -2.23 0.00 0.00 178.31 176.36 1sn6 h LEU 11 N 0.96 0.00 -2.17 0.59 3.38 -0.73 -2.37 115.31 114.97 1sn6 h LEU 11 Ca 0.36 -0.70 0.06 0.00 0.09 0.00 0.00 57.88 57.69 1sn6 h LEU 11 Cb 0.13 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 1sn6 h LEU 11 CO -0.16 0.88 0.27 0.58 0.09 0.00 0.00 178.44 180.11 1sn6 h VAL 12 N -1.00 0.38 0.19 1.22 2.07 0.72 0.14 116.25 119.97 1sn6 h VAL 12 Ca -0.01 0.00 -0.35 0.00 0.82 0.00 0.00 66.70 67.16 1sn6 h VAL 12 Cb 0.74 0.78 0.01 0.00 -1.52 0.00 0.00 31.29 31.30 1sn6 h VAL 12 CO -0.01 0.00 -1.70 0.50 0.02 0.00 0.00 177.57 176.38 1sn6 h LYS 13 N 0.00 0.40 0.14 1.57 3.64 -0.59 -3.00 116.57 118.72 1sn6 h LYS 13 Ca 0.10 -0.68 -0.01 0.00 -1.27 0.00 0.00 60.65 58.79 1sn6 h LYS 13 Cb 0.65 0.25 0.00 0.00 -0.41 0.00 0.00 32.23 32.72 1sn6 h LYS 13 CO -0.00 1.32 -0.07 0.93 -2.27 0.00 0.00 179.45 179.36 1sn6 h GLU 14 N 0.11 -0.18 -0.97 1.90 4.39 -0.61 -2.39 114.58 116.83 1sn6 h GLU 14 Ca -0.32 0.01 0.18 0.00 0.34 0.00 0.00 59.36 59.57 1sn6 h GLU 14 Cb 2.10 0.04 -0.09 0.00 -0.10 0.00 0.00 28.75 30.70 1sn6 h GLU 14 CO 0.19 0.22 0.61 -0.24 -1.16 0.00 0.00 179.01 178.63 1sn6 h VAL 15 N -0.64 0.74 -0.30 3.13 3.04 -0.96 0.13 116.25 121.38 1sn6 h VAL 15 Ca -0.02 -0.24 0.01 0.00 -1.01 0.00 0.00 66.70 65.44 1sn6 h VAL 15 Cb 0.48 -0.02 -0.02 0.00 -2.01 0.00 0.00 31.29 29.73 1sn6 h VAL 15 CO 0.03 0.13 0.18 0.71 -1.01 0.00 0.00 177.57 177.61 1sn6 h THR 16 N 0.70 1.04 -1.10 3.17 1.35 -1.36 0.73 112.91 117.43 1sn6 h THR 16 Ca 0.53 -0.13 0.30 0.00 -0.55 0.00 0.00 66.41 66.57 1sn6 h THR 16 Cb 0.90 0.64 -0.09 0.00 -1.73 0.00 0.00 68.15 67.86 1sn6 h THR 16 CO -0.29 0.07 0.72 0.11 -0.25 0.00 0.00 175.52 175.87 1sn6 h LYS 17 N 0.37 0.29 0.09 4.72 1.57 -0.22 2.95 116.57 126.33 1sn6 h LYS 17 Ca 0.12 -0.02 -0.36 0.00 -1.87 0.00 0.00 60.65 58.52 1sn6 h LYS 17 Cb -0.01 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.21 1sn6 h LYS 17 CO -0.05 0.19 -2.04 1.47 -0.57 0.00 0.00 179.45 178.45 1sn6 n LEU 18 N -4.59 2.44 0.08 2.94 -0.00 -0.56 -3.89 117.00 113.41 1sn6 n LEU 18 Ca 0.27 0.18 0.12 0.00 -0.00 0.00 0.00 56.01 56.58 1sn6 n LEU 18 Cb 1.01 -0.92 0.46 0.00 -0.00 0.00 0.00 43.42 43.97 1sn6 n LEU 18 CO 0.26 0.81 0.86 -0.38 -0.00 0.00 0.00 177.39 178.94 1sn6 n ILE 19 N -3.39 0.64 -0.37 1.47 5.41 0.24 -3.60 119.36 119.76 1sn6 n ILE 19 Ca -0.32 0.03 0.34 0.00 1.00 0.00 0.00 62.75 63.80 1sn6 n ILE 19 Cb 1.04 -0.84 0.59 0.00 -0.71 0.00 0.00 39.64 39.73 1sn6 n ILE 19 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 1sn6 n ASP 20 N -1.99 0.26 -2.40 4.38 2.03 0.97 -2.80 116.55 116.99 1sn6 n ASP 20 Ca 0.04 1.41 -0.02 0.00 0.52 0.00 0.00 54.79 56.74 1sn6 n ASP 20 Cb 0.30 -0.69 0.09 0.00 -0.72 0.00 0.00 41.12 40.10 1sn6 n ASP 20 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1sn6 n ASN 21 N -4.82 -0.98 -0.03 1.67 3.02 -1.25 -4.93 115.26 107.94 1sn6 n ASN 21 Ca 0.36 -2.16 -0.05 0.00 -0.03 0.00 0.00 54.58 52.71 1sn6 n ASN 21 Cb 1.34 0.47 -0.04 0.00 -0.61 0.00 0.00 39.78 40.94 1sn6 n ASN 21 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1sn6 n ASN 22 N -1.15 3.47 -3.57 6.41 5.03 -1.12 -4.74 115.26 119.58 1sn6 n ASN 22 Ca -0.16 -0.03 -0.39 0.00 0.87 0.00 0.00 54.58 54.86 1sn6 n ASN 22 Cb 0.85 0.05 -0.03 0.00 -1.02 0.00 0.00 39.78 39.63 1sn6 n ASN 22 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 1sn6 n LYS 23 N -2.60 2.33 -0.15 3.52 4.76 -1.25 -4.92 118.16 119.85 1sn6 n LYS 23 Ca -0.12 -2.11 -0.06 0.00 -2.87 0.00 0.00 58.31 53.15 1sn6 n LYS 23 Cb 0.65 -2.98 0.05 0.00 -1.84 0.00 0.00 35.03 30.91 1sn6 n LYS 23 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 1sn6 n THR 24 N 5.15 0.00 -0.61 -0.18 -2.24 -1.26 -4.85 114.28 110.29 1sn6 n THR 24 Ca 0.53 -0.06 0.09 0.00 -2.27 0.00 0.00 64.05 62.34 1sn6 n THR 24 Cb 0.34 -0.77 0.31 0.00 -2.10 0.00 0.00 70.33 68.11 1sn6 n THR 24 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1sn6 n GLU 25 N -2.31 3.50 -0.09 -0.78 0.00 -1.26 -4.32 120.64 115.37 1sn6 n GLU 25 Ca 0.03 -2.76 -0.21 0.00 0.00 0.00 0.00 57.16 54.21 1sn6 n GLU 25 Cb 0.11 -1.79 -0.12 0.00 0.00 0.00 0.00 31.44 29.64 1sn6 n GLU 25 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.13 178.00 1sn6 h LYS 26 N 3.45 0.03 0.00 3.44 1.79 -1.97 -2.88 116.57 120.44 1sn6 h LYS 26 Ca 0.00 -0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.41 1sn6 h LYS 26 Cb 1.34 0.02 0.00 0.00 -1.58 0.00 0.00 32.23 32.01 1sn6 h LYS 26 CO 0.19 1.03 0.00 0.39 -1.08 0.00 0.00 179.45 179.98 1sn6 n GLU 27 N -4.34 0.07 0.00 3.15 1.02 -1.26 -2.84 120.64 116.44 1sn6 n GLU 27 Ca -0.31 0.22 0.00 0.00 -0.02 0.00 0.00 57.16 57.05 1sn6 n GLU 27 Cb 0.71 -1.61 0.00 0.00 -0.02 0.00 0.00 31.44 30.52 1sn6 n GLU 27 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 1sn6 n ILE 28 N -1.74 0.00 -0.33 -3.67 2.08 -1.25 -2.79 119.36 111.66 1sn6 n ILE 28 Ca 0.04 0.38 0.36 0.00 0.56 0.00 0.00 62.75 64.09 1sn6 n ILE 28 Cb 0.25 -1.29 0.72 0.00 -0.75 0.00 0.00 39.64 38.57 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 0.03 1.39 3.38 -1.65 0.67 115.31 119.13 1sn6 h LEU 29 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 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 -0.01 -0.78 0.09 0.00 0.00 178.44 177.74 1sn6 h ASP 30 N 0.00 -0.03 -0.57 -0.43 3.58 -1.71 -3.02 116.42 114.24 1sn6 h ASP 30 Ca 0.58 -0.68 0.10 0.00 0.42 0.00 0.00 57.03 57.45 1sn6 h ASP 30 Cb 2.52 0.01 -0.11 0.00 1.72 0.00 0.00 39.33 43.46 1sn6 h ASP 30 CO -0.01 0.71 -0.33 0.00 -2.88 0.00 0.00 179.24 176.73 1sn6 h ALA 31 N 0.05 -0.06 -1.00 -0.78 0.00 0.48 0.99 119.26 118.95 1sn6 h ALA 31 Ca -0.00 0.16 0.20 0.00 0.00 0.00 0.00 54.91 55.26 1sn6 h ALA 31 Cb 0.71 0.77 -0.11 0.00 0.00 0.00 0.00 17.79 19.16 1sn6 h ALA 31 CO 0.01 -0.68 0.61 0.74 0.00 0.00 0.00 179.25 179.92 1sn6 h PHE 32 N -0.17 1.06 0.00 0.00 0.04 -1.31 2.79 116.94 119.35 1sn6 h PHE 32 Ca 0.23 0.03 0.00 0.00 2.80 0.00 0.00 57.97 61.03 1sn6 h PHE 32 Cb 0.55 -0.32 0.00 0.00 2.20 0.00 0.00 35.95 38.38 1sn6 h PHE 32 CO -0.62 0.21 0.00 -3.47 -0.60 0.00 0.00 178.31 173.83 1sn6 n ASP 33 N -4.79 0.00 -0.00 2.17 -0.08 0.34 -1.25 116.55 112.94 1sn6 n ASP 33 Ca 0.24 0.36 -0.00 0.00 -1.51 0.00 0.00 54.79 53.87 1sn6 n ASP 33 Cb 0.60 -0.38 -0.00 0.00 2.34 0.00 0.00 41.12 43.68 1sn6 n ASP 33 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1sn6 n LYS 34 N -1.38 0.02 -0.04 -0.67 5.02 0.92 -4.34 118.16 117.69 1sn6 n LYS 34 Ca 0.01 0.01 -0.11 0.00 -2.02 0.00 0.00 58.31 56.20 1sn6 n LYS 34 Cb 0.02 -0.36 -0.05 0.00 -0.02 0.00 0.00 35.03 34.62 1sn6 n LYS 34 CO 0.00 0.00 0.00 0.52 -0.52 0.00 0.00 177.40 177.40 1sn6 h MET 35 N -0.04 0.24 -0.93 1.97 2.86 -1.19 -1.01 114.93 116.82 1sn6 h MET 35 Ca 0.00 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 1sn6 h MET 35 Cb 0.04 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 31.66 1sn6 h MET 35 CO 0.00 0.30 0.00 0.00 1.06 0.00 0.00 176.91 178.27 1sn6 n SER 37 N 0.21 1.95 0.25 0.00 2.88 -0.38 -4.28 113.62 114.26 1sn6 n SER 37 Ca 0.00 0.28 0.15 0.00 -1.33 0.00 0.00 58.87 57.97 1sn6 n SER 37 Cb 0.27 -0.81 0.48 0.00 -0.75 0.00 0.00 64.21 63.40 1sn6 n SER 37 CO 0.00 0.00 0.00 0.07 -1.23 0.00 0.00 175.04 173.88 1sn6 h LYS 38 N -0.71 0.00 -6.26 -1.46 2.10 -1.64 -3.46 116.57 105.14 1sn6 h LYS 38 Ca -0.54 0.00 -0.61 0.00 -2.00 0.00 0.00 60.65 57.51 1sn6 h LYS 38 Cb 1.62 0.00 0.15 0.00 -0.90 0.00 0.00 32.23 33.10 1sn6 h LYS 38 CO -0.24 0.00 -0.56 -0.11 -2.00 0.00 0.00 179.45 176.54 1sn6 n LEU 39 N -3.07 -0.73 -4.71 7.07 7.94 -1.25 -4.78 117.00 117.47 1sn6 n LEU 39 Ca 0.02 0.85 -0.43 0.00 -1.11 0.00 0.00 56.01 55.34 1sn6 n LEU 39 Cb 0.39 -1.06 -0.03 0.00 0.53 0.00 0.00 43.42 43.26 1sn6 n LEU 39 CO 0.30 -3.29 1.28 -2.65 -1.11 0.00 0.00 177.39 171.91 1sn6 n PRO 40 N 0.72 2.54 -0.31 1.96 -0.02 -1.26 -4.55 135.00 134.07 1sn6 n PRO 40 Ca 0.11 0.91 -0.02 0.00 -2.02 0.00 0.00 63.50 62.49 1sn6 n PRO 40 Cb 0.41 -2.71 0.02 0.00 -0.02 0.00 0.00 33.50 31.19 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 3.36 -0.21 -0.19 -0.52 3.00 -1.26 0.42 118.16 122.76 1sn6 n LYS 41 Ca 0.15 1.22 -0.10 0.00 -0.00 0.00 0.00 58.31 59.58 1sn6 n LYS 41 Cb 0.33 -1.81 -0.08 0.00 0.00 0.00 0.00 35.03 33.48 1sn6 n LYS 41 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.40 178.17 1sn6 h SER 42 N 0.00 -1.55 0.16 3.14 0.02 -2.01 0.57 113.55 113.88 1sn6 h SER 42 Ca 0.26 0.22 0.00 0.00 -0.84 0.00 0.00 61.79 61.42 1sn6 h SER 42 Cb 0.45 0.66 0.00 0.00 0.14 0.00 0.00 62.40 63.65 1sn6 h SER 42 CO -0.78 -0.26 -0.01 0.18 -1.14 0.00 0.00 176.83 174.81 1sn6 n LEU 43 N -4.78 0.14 0.12 5.07 4.32 -0.13 -2.64 117.00 119.09 1sn6 n LEU 43 Ca -0.01 0.04 0.03 0.00 -0.02 0.00 0.00 56.01 56.05 1sn6 n LEU 43 Cb 0.24 -0.08 0.01 0.00 -1.62 0.00 0.00 43.42 41.97 1sn6 n LEU 43 CO -0.04 0.02 0.29 0.77 -1.22 0.00 0.00 177.39 177.21 1sn6 h SER 44 N 0.20 0.00 0.36 -1.43 4.64 0.50 0.05 113.55 117.87 1sn6 h SER 44 Ca 0.00 0.00 -0.32 0.00 -0.47 0.00 0.00 61.79 61.00 1sn6 h SER 44 Cb 0.13 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.23 1sn6 h SER 44 CO 0.00 0.45 -1.52 -0.08 -0.87 0.00 0.00 176.83 174.81 1sn6 h GLU 45 N 0.00 0.39 0.00 4.77 4.81 -0.56 -2.99 114.58 120.99 1sn6 h GLU 45 Ca -0.04 -0.66 -0.04 0.00 -0.13 0.00 0.00 59.36 58.49 1sn6 h GLU 45 Cb 1.38 0.25 -0.01 0.00 0.63 0.00 0.00 28.75 31.00 1sn6 h GLU 45 CO 0.05 1.29 -0.19 0.93 -0.73 0.00 0.00 179.01 180.37 1sn6 h GLU 46 N 0.11 0.00 0.02 1.92 5.08 -1.53 -2.61 114.58 117.57 1sn6 h GLU 46 Ca -0.25 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 57.90 1sn6 h GLU 46 Cb 2.08 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 31.32 1sn6 h GLU 46 CO 0.21 0.19 -0.94 0.00 -1.00 0.00 0.00 179.01 177.46 1sn6 h GLN 48 N 0.06 0.00 -0.13 0.00 1.08 -1.51 -3.08 115.11 111.53 1sn6 h GLN 48 Ca -0.04 0.00 -0.05 0.00 -1.45 0.00 0.00 58.65 57.11 1sn6 h GLN 48 Cb 1.62 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 29.04 1sn6 h GLN 48 CO 0.14 0.00 -0.10 0.93 -0.95 0.00 0.00 178.83 178.85 1sn6 h GLU 49 N 0.00 0.30 -0.51 1.46 5.08 -1.36 -2.96 114.58 116.59 1sn6 h GLU 49 Ca 0.00 -0.15 -0.08 0.00 -1.00 0.00 0.00 59.36 58.13 1sn6 h GLU 49 Cb 0.94 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.17 1sn6 h GLU 49 CO 0.00 0.67 0.02 0.28 -1.00 0.00 0.00 179.01 178.98 1sn6 h VAL 50 N -0.06 1.26 -0.69 3.13 2.07 -1.59 -2.88 116.25 117.49 1sn6 h VAL 50 Ca 0.03 -1.06 0.13 0.00 0.82 0.00 0.00 66.70 66.62 1sn6 h VAL 50 Cb 0.60 0.93 -0.13 0.00 -1.52 0.00 0.00 31.29 31.17 1sn6 h VAL 50 CO 0.03 0.37 -0.23 0.58 0.02 0.00 0.00 177.57 178.34 1sn6 h VAL 51 N 0.76 0.25 -0.78 2.57 2.07 -1.49 3.62 116.25 123.25 1sn6 h VAL 51 Ca 0.15 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.82 1sn6 h VAL 51 Cb 0.50 0.25 -0.05 0.00 -1.52 0.00 0.00 31.29 30.46 1sn6 h VAL 51 CO 0.02 0.00 0.52 -0.78 0.02 0.00 0.00 177.57 177.35 1sn6 h ASP 52 N -0.05 0.44 1.42 0.57 1.82 -1.34 0.65 116.42 119.93 1sn6 h ASP 52 Ca 0.31 0.03 -0.07 0.00 -0.39 0.00 0.00 57.03 56.91 1sn6 h ASP 52 Cb 0.53 -0.06 -0.01 0.00 0.68 0.00 0.00 39.33 40.47 1sn6 h ASP 52 CO -0.73 0.23 -0.60 0.74 -1.61 0.00 0.00 179.24 177.27 1sn6 h THR 53 N 0.47 0.41 -2.21 2.25 2.02 0.46 -3.38 112.91 112.93 1sn6 h THR 53 Ca 0.39 -1.62 -0.58 0.00 0.77 0.00 0.00 66.41 65.36 1sn6 h THR 53 Cb 0.82 2.08 -0.40 0.00 -1.74 0.00 0.00 68.15 68.91 1sn6 h THR 53 CO -0.14 0.23 -0.85 -1.22 0.37 0.00 0.00 175.52 173.91 1sn6 n TYR 54 N -3.04 1.40 0.09 3.16 4.02 1.01 -4.75 117.16 119.04 1sn6 n TYR 54 Ca 0.00 -3.82 0.00 0.00 -0.01 0.00 0.00 57.90 54.07 1sn6 n TYR 54 Cb 0.66 -0.39 0.00 0.00 -0.02 0.00 0.00 39.34 39.60 1sn6 n TYR 54 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1sn6 n GLY 55 N 1.40 -0.27 0.14 2.72 0.00 0.41 -4.50 105.19 105.08 1sn6 n GLY 55 Ca 0.25 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.39 1sn6 n GLY 55 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1sn6 h SER 56 N 0.00 0.00 0.00 1.61 4.64 -1.85 -3.33 113.55 114.63 1sn6 h SER 56 Ca 0.00 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 1sn6 h SER 56 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1sn6 h SER 56 CO 0.00 0.02 0.00 -1.20 -0.87 0.00 0.00 176.83 174.78 1sn6 n SER 57 N -2.61 0.00 -0.11 4.97 7.64 -1.26 -2.80 113.62 119.45 1sn6 n SER 57 Ca 0.04 0.13 0.06 0.00 1.01 0.00 0.00 58.87 60.11 1sn6 n SER 57 Cb 0.49 -0.36 0.12 0.00 -1.01 0.00 0.00 64.21 63.44 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 -1.99 -0.13 -0.04 0.44 3.06 -1.26 0.21 119.36 119.64 1sn6 n ILE 58 Ca 0.00 0.69 -0.09 0.00 -2.50 0.00 0.00 62.75 60.84 1sn6 n ILE 58 Cb 0.00 -1.03 -0.08 0.00 0.54 0.00 0.00 39.64 39.06 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 0.00 9.51 3.38 -1.76 -3.28 115.31 123.13 1sn6 h LEU 59 Ca 0.21 -0.60 0.00 0.00 0.09 0.00 0.00 57.88 57.58 1sn6 h LEU 59 Cb 0.49 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.24 1sn6 h LEU 59 CO -0.29 0.75 0.00 -0.24 0.09 0.00 0.00 178.44 178.75 1sn6 n SER 60 N -4.71 0.00 -0.09 -0.43 2.88 0.57 -3.99 113.62 107.85 1sn6 n SER 60 Ca -0.07 -1.01 -0.10 0.00 -1.33 0.00 0.00 58.87 56.36 1sn6 n SER 60 Cb 0.30 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.73 1sn6 n SER 60 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1sn6 n ILE 61 N -0.92 1.48 0.00 2.46 0.00 0.55 -4.19 119.36 118.73 1sn6 n ILE 61 Ca 0.18 0.11 0.00 0.00 0.00 0.00 0.00 62.75 63.03 1sn6 n ILE 61 Cb 0.08 -2.30 0.00 0.00 0.00 0.00 0.00 39.64 37.42 1sn6 n ILE 61 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 1sn6 n LEU 62 N -4.49 0.00 -0.13 9.51 4.77 -1.24 -2.28 117.00 123.15 1sn6 n LEU 62 Ca -0.17 0.00 -0.27 0.00 -0.03 0.00 0.00 56.01 55.54 1sn6 n LEU 62 Cb 0.48 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.46 1sn6 n LEU 62 CO 0.15 0.00 -1.21 0.18 -1.33 0.00 0.00 177.39 175.19 1sn6 n LEU 63 N -0.79 2.05 0.06 2.23 4.77 -1.25 -4.60 117.00 119.47 1sn6 n LEU 63 Ca 0.00 0.31 0.00 0.00 -0.03 0.00 0.00 56.01 56.29 1sn6 n LEU 63 Cb 0.00 -0.87 0.00 0.00 -2.33 0.00 0.00 43.42 40.22 1sn6 n LEU 63 CO 0.00 0.55 -0.09 -0.62 -1.33 0.00 0.00 177.39 175.89 1sn6 n GLU 64 N -4.18 0.00 0.07 3.23 -0.58 -1.01 -4.69 120.64 113.49 1sn6 n GLU 64 Ca -0.48 0.00 0.03 0.00 -0.42 0.00 0.00 57.16 56.29 1sn6 n GLU 64 Cb 0.85 -0.26 0.15 0.00 -0.57 0.00 0.00 31.44 31.61 1sn6 n GLU 64 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1sn6 n GLU 65 N -3.23 0.04 -3.83 3.49 -0.58 -1.19 -4.15 120.64 111.19 1sn6 n GLU 65 Ca 0.00 0.40 -0.13 0.00 -0.42 0.00 0.00 57.16 57.02 1sn6 n GLU 65 Cb 0.09 -1.89 -0.14 0.00 -0.57 0.00 0.00 31.44 28.93 1sn6 n GLU 65 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1sn6 s VAL 66 N -2.88 -0.01 0.49 2.62 1.01 -0.97 -5.01 120.40 115.65 1sn6 s VAL 66 Ca -0.01 0.04 -0.04 0.00 0.00 0.00 0.00 61.98 61.97 1sn6 s VAL 66 Cb 0.02 -0.12 -0.03 0.00 0.00 0.00 0.00 36.38 36.25 1sn6 s VAL 66 CO 0.05 0.02 0.78 -0.55 0.00 0.00 0.00 175.10 175.40 1sn6 s SER 67 N 0.28 6.12 0.11 3.32 0.15 -1.26 -3.95 113.70 118.48 1sn6 s SER 67 Ca -0.02 0.81 -0.20 0.00 0.70 0.00 0.00 55.95 57.24 1sn6 s SER 67 Cb -0.03 -2.09 -0.09 0.00 -1.71 0.00 0.00 66.02 62.10 1sn6 s SER 67 CO -0.01 -0.65 1.73 1.55 1.20 0.00 0.00 173.24 177.06 1sn6 h PRO 68 N 0.21 0.23 -0.93 5.44 0.13 -1.85 -2.64 132.00 132.58 1sn6 h PRO 68 Ca -0.47 -0.02 -0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1sn6 h PRO 68 Cb 1.22 -0.05 -0.05 0.00 0.13 0.00 0.00 31.00 32.25 1sn6 h PRO 68 CO 0.61 0.20 0.57 1.49 -0.23 0.00 0.00 178.00 180.65 1sn6 h GLU 69 N 0.19 1.26 -0.38 0.86 4.81 -1.89 -2.39 114.58 117.04 1sn6 h GLU 69 Ca 0.06 -0.11 0.07 0.00 -0.13 0.00 0.00 59.36 59.25 1sn6 h GLU 69 Cb 0.03 -0.27 -0.06 0.00 0.63 0.00 0.00 28.75 29.09 1sn6 h GLU 69 CO -0.01 0.87 0.02 1.25 -0.73 0.00 0.00 179.01 180.40 1sn6 h LEU 70 N 1.28 -0.12 -0.62 1.64 5.85 -1.87 -1.81 115.31 119.67 1sn6 h LEU 70 Ca 0.34 0.08 0.12 0.00 0.84 0.00 0.00 57.88 59.25 1sn6 h LEU 70 Cb -0.08 0.14 -0.12 0.00 0.37 0.00 0.00 40.66 40.97 1sn6 h LEU 70 CO -0.07 -0.02 -0.28 0.58 -0.34 0.00 0.00 178.44 178.31 1sn6 h VAL 71 N 0.12 0.22 -1.17 1.05 2.07 -1.16 1.52 116.25 118.91 1sn6 h VAL 71 Ca 0.19 0.00 0.33 0.00 0.82 0.00 0.00 66.70 68.04 1sn6 h VAL 71 Cb 0.25 0.22 -0.08 0.00 -1.52 0.00 0.00 31.29 30.16 1sn6 h VAL 71 CO -0.29 0.00 0.79 0.00 0.02 0.00 0.00 177.57 178.09 1sn6 h SER 73 N 0.18 -0.47 -0.88 0.00 0.02 0.22 -2.35 113.55 110.27 1sn6 h SER 73 Ca 0.62 -0.01 0.19 0.00 -0.84 0.00 0.00 61.79 61.75 1sn6 h SER 73 Cb 2.04 0.12 -0.11 0.00 0.14 0.00 0.00 62.40 64.59 1sn6 h SER 73 CO -0.18 -0.03 0.42 0.24 -1.14 0.00 0.00 176.83 176.13 1sn6 h MET 74 N -1.13 0.49 0.00 3.45 2.86 0.35 2.26 114.93 123.22 1sn6 h MET 74 Ca -0.06 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.55 1sn6 h MET 74 Cb 0.45 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 32.00 1sn6 h MET 74 CO 0.09 0.33 0.00 1.28 1.06 0.00 0.00 176.91 179.67 1sn6 n LEU 75 N -4.96 0.00 -4.30 1.22 4.77 0.18 -4.80 117.00 109.11 1sn6 n LEU 75 Ca 0.20 0.00 -0.32 0.00 -0.03 0.00 0.00 56.01 55.86 1sn6 n LEU 75 Cb 0.56 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.57 1sn6 n LEU 75 CO 0.17 0.00 -0.38 0.00 -1.33 0.00 0.00 177.39 175.84 1sn6 n HIS 76 N -0.94 -1.32 0.04 -1.77 1.44 0.76 -4.80 115.22 108.63 1sn6 n HIS 76 Ca 0.07 0.65 -0.03 0.00 -2.01 0.00 0.00 57.72 56.40 1sn6 n HIS 76 Cb 0.03 -2.80 -0.08 0.00 0.12 0.00 0.00 29.99 27.26 1sn6 n HIS 76 CO 0.00 0.00 0.00 1.25 -2.81 0.00 0.00 176.34 174.78 1sn6 h LEU 77 N -1.65 0.00 0.00 2.39 5.85 -1.60 -3.42 115.31 116.88 1sn6 h LEU 77 Ca -0.64 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.08 1sn6 h LEU 77 Cb 1.39 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.42 1sn6 h LEU 77 CO 0.73 0.72 0.00 0.00 -0.34 0.00 0.00 178.44 179.55 1sn6 n SER 79 N 0.00 1.75 0.07 0.00 7.64 -1.26 -4.68 113.62 117.14 1sn6 n SER 79 Ca 0.00 -1.18 -0.05 0.00 1.01 0.00 0.00 58.87 58.66 1sn6 n SER 79 Cb 0.00 -1.58 -0.09 0.00 -1.01 0.00 0.00 64.21 61.53 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 21.17 0.00 -0.13 0.23 0.00 -1.82 -3.47 103.07 119.05 1sn6 h GLY 80 Ca -0.06 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.14 1sn6 h GLY 80 CO 1.08 0.00 -0.10 1.47 0.00 0.00 0.00 176.54 178.99 1sn6 n LEU 81 N -3.26 0.00 -4.70 3.11 -0.00 -1.26 -5.10 117.00 105.78 1sn6 n LEU 81 Ca -0.02 -0.67 -0.41 0.00 -0.00 0.00 0.00 56.01 54.90 1sn6 n LEU 81 Cb 0.90 0.15 -0.03 0.00 -0.00 0.00 0.00 43.42 44.44 1sn6 n LEU 81 CO 0.45 -0.10 0.62 0.68 -0.00 0.00 0.00 177.39 179.04 1sn6 s VAL 82 N -1.64 4.90 0.35 1.47 -7.23 -1.26 -4.98 120.40 112.01 1sn6 s VAL 82 Ca 0.02 1.87 -0.26 0.00 -1.81 0.00 0.00 61.98 61.80 1sn6 s VAL 82 Cb 0.00 -4.23 -0.12 0.00 0.56 0.00 0.00 36.38 32.58 1sn6 s VAL 82 CO 0.02 0.15 1.03 -2.65 -0.31 0.00 0.00 175.10 173.34 1sn6 n PRO 83 N 4.17 1.44 0.00 4.82 -0.02 -1.26 -5.19 135.00 138.95 1sn6 n PRO 83 Ca 0.05 0.51 0.16 0.00 -2.02 0.00 0.00 63.50 62.19 1sn6 n PRO 83 Cb 0.51 -1.98 0.93 0.00 -0.02 0.00 0.00 33.50 32.93 1sn6 n PRO 83 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02