#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 3.54 -0.03 -3.46 2.03 -1.26 -4.02 116.55 113.35 1sn6 n ASP 2 Ca 0.00 -1.99 -0.03 0.00 0.52 0.00 0.00 54.79 53.29 1sn6 n ASP 2 Cb 0.00 -0.80 -0.01 0.00 -0.72 0.00 0.00 41.12 39.59 1sn6 n ASP 2 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 1sn6 n VAL 3 N 1.92 0.50 -0.12 5.18 0.31 -1.26 -4.20 118.33 120.66 1sn6 n VAL 3 Ca 0.07 0.38 -0.10 0.00 -0.01 0.00 0.00 64.34 64.69 1sn6 n VAL 3 Cb 0.40 -1.79 -0.02 0.00 -0.91 0.00 0.00 33.84 31.53 1sn6 n VAL 3 CO 0.00 0.00 0.00 1.88 -1.32 0.00 0.00 176.83 177.39 1sn6 h TYR 4 N -0.33 0.55 -1.01 3.52 -1.99 -1.98 -1.30 116.97 114.43 1sn6 h TYR 4 Ca 0.00 -0.05 0.22 0.00 2.00 0.00 0.00 58.73 60.90 1sn6 h TYR 4 Cb 0.31 -0.16 -0.11 0.00 2.00 0.00 0.00 36.73 38.76 1sn6 h TYR 4 CO -0.13 0.53 0.61 0.00 -0.00 0.00 0.00 178.16 179.17 1sn6 h GLU 6 N 0.64 0.68 0.00 0.00 4.39 -1.61 -2.89 114.58 115.79 1sn6 h GLU 6 Ca 0.61 -0.57 -0.01 0.00 0.34 0.00 0.00 59.36 59.73 1sn6 h GLU 6 Cb 1.12 0.12 -0.00 0.00 -0.10 0.00 0.00 28.75 29.89 1sn6 h GLU 6 CO -0.42 1.19 -0.03 0.28 -1.16 0.00 0.00 179.01 178.87 1sn6 h VAL 7 N 0.36 0.06 0.00 3.13 2.07 0.31 -2.90 116.25 119.28 1sn6 h VAL 7 Ca -0.05 -0.79 -0.17 0.00 0.82 0.00 0.00 66.70 66.51 1sn6 h VAL 7 Cb 1.33 1.74 -0.02 0.00 -1.52 0.00 0.00 31.29 32.82 1sn6 h VAL 7 CO 0.14 0.03 -0.84 0.00 0.02 0.00 0.00 177.57 176.92 1sn6 h GLU 9 N 0.00 0.00 0.13 0.00 4.11 -1.41 -2.70 114.58 114.71 1sn6 h GLU 9 Ca -0.02 0.00 -0.29 0.00 0.07 0.00 0.00 59.36 59.12 1sn6 h GLU 9 Cb 1.63 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.90 1sn6 h GLU 9 CO 0.10 0.22 -1.25 0.35 0.07 0.00 0.00 179.01 178.50 1sn6 h PHE 10 N 0.00 0.82 0.13 2.06 3.57 -1.57 -2.71 116.94 119.25 1sn6 h PHE 10 Ca -0.06 -0.54 -0.22 0.00 3.53 0.00 0.00 57.97 60.68 1sn6 h PHE 10 Cb 1.30 -0.06 0.01 0.00 2.79 0.00 0.00 35.95 39.99 1sn6 h PHE 10 CO 0.00 1.40 -1.02 -0.07 -2.23 0.00 0.00 178.31 176.39 1sn6 h LEU 11 N 0.19 0.44 -1.81 0.59 3.38 -1.65 -2.67 115.31 113.78 1sn6 h LEU 11 Ca -0.17 -0.91 -0.03 0.00 0.09 0.00 0.00 57.88 56.85 1sn6 h LEU 11 Cb 1.94 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 42.54 1sn6 h LEU 11 CO 0.23 1.47 -0.14 0.58 0.09 0.00 0.00 178.44 180.67 1sn6 h VAL 12 N -0.35 0.59 0.16 1.22 2.07 -1.62 -0.36 116.25 117.96 1sn6 h VAL 12 Ca -0.20 -0.61 -0.33 0.00 0.82 0.00 0.00 66.70 66.39 1sn6 h VAL 12 Cb 1.68 1.39 0.00 0.00 -1.52 0.00 0.00 31.29 32.85 1sn6 h VAL 12 CO 0.12 0.13 -1.61 0.50 0.02 0.00 0.00 177.57 176.73 1sn6 h LYS 13 N 0.00 0.33 0.09 1.57 3.64 -1.56 -3.01 116.57 117.63 1sn6 h LYS 13 Ca -0.00 -0.56 -0.00 0.00 -1.27 0.00 0.00 60.65 58.81 1sn6 h LYS 13 Cb 0.38 0.21 0.00 0.00 -0.41 0.00 0.00 32.23 32.41 1sn6 h LYS 13 CO 0.02 1.22 -0.04 1.49 -2.27 0.00 0.00 179.45 179.86 1sn6 h GLU 14 N 0.09 -0.12 -0.90 1.90 4.81 -1.20 -2.80 114.58 116.36 1sn6 h GLU 14 Ca -0.28 0.01 0.18 0.00 -0.13 0.00 0.00 59.36 59.14 1sn6 h GLU 14 Cb 2.06 0.03 -0.11 0.00 0.63 0.00 0.00 28.75 31.36 1sn6 h GLU 14 CO 0.18 0.39 0.46 -0.24 -0.73 0.00 0.00 179.01 179.07 1sn6 h VAL 15 N -0.74 0.64 -0.53 0.32 3.04 -1.23 0.27 116.25 118.02 1sn6 h VAL 15 Ca -0.01 -0.20 0.09 0.00 -1.01 0.00 0.00 66.70 65.57 1sn6 h VAL 15 Cb 0.57 0.01 -0.07 0.00 -2.01 0.00 0.00 31.29 29.78 1sn6 h VAL 15 CO 0.02 0.11 0.12 0.71 -1.01 0.00 0.00 177.57 177.52 1sn6 h THR 16 N 0.58 0.71 -1.05 3.17 1.35 -1.44 1.00 112.91 117.23 1sn6 h THR 16 Ca 0.52 -0.09 0.29 0.00 -0.55 0.00 0.00 66.41 66.58 1sn6 h THR 16 Cb 0.84 0.43 -0.12 0.00 -1.73 0.00 0.00 68.15 67.57 1sn6 h THR 16 CO -0.42 0.05 0.64 0.11 -0.25 0.00 0.00 175.52 175.65 1sn6 h LYS 17 N 0.26 0.39 0.09 4.72 1.57 -0.18 2.91 116.57 126.32 1sn6 h LYS 17 Ca 0.27 -0.02 -0.33 0.00 -1.87 0.00 0.00 60.65 58.69 1sn6 h LYS 17 Cb 0.37 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.56 1sn6 h LYS 17 CO -0.34 0.26 -1.83 1.47 -0.57 0.00 0.00 179.45 178.44 1sn6 n LEU 18 N -4.81 2.43 0.24 2.94 -0.00 0.17 -3.84 117.00 114.13 1sn6 n LEU 18 Ca 0.29 0.26 0.17 0.00 -0.00 0.00 0.00 56.01 56.72 1sn6 n LEU 18 Cb 0.93 -1.07 0.77 0.00 -0.00 0.00 0.00 43.42 44.05 1sn6 n LEU 18 CO 0.18 0.70 0.99 0.40 -0.00 0.00 0.00 177.39 179.66 1sn6 h ILE 19 N -0.24 0.00 -0.84 1.47 2.04 0.21 -2.99 117.51 117.16 1sn6 h ILE 19 Ca -0.42 -0.22 0.10 0.00 1.00 0.00 0.00 64.86 65.32 1sn6 h ILE 19 Cb 1.83 1.07 -0.12 0.00 -0.74 0.00 0.00 36.82 38.86 1sn6 h ILE 19 CO -0.01 0.00 -0.51 -2.24 0.00 0.00 0.00 178.15 175.39 1sn6 h ASP 20 N 0.00 -1.84 -0.12 1.72 2.03 0.51 -3.36 116.42 115.35 1sn6 h ASP 20 Ca 0.00 0.30 -0.24 0.00 -0.73 0.00 0.00 57.03 56.36 1sn6 h ASP 20 Cb 0.25 0.84 -0.17 0.00 -0.83 0.00 0.00 39.33 39.42 1sn6 h ASP 20 CO 0.00 -0.29 -0.45 0.59 -1.03 0.00 0.00 179.24 178.06 1sn6 n ASN 21 N -5.34 -1.71 -0.07 4.15 4.13 -1.21 -4.99 115.26 110.22 1sn6 n ASN 21 Ca 0.03 -2.77 -0.11 0.00 1.68 0.00 0.00 54.58 53.41 1sn6 n ASN 21 Cb 0.32 1.08 -0.04 0.00 -1.54 0.00 0.00 39.78 39.60 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 -0.32 1.64 -4.55 6.41 5.03 -1.13 -4.89 115.26 117.44 1sn6 n ASN 22 Ca 0.01 0.27 -0.41 0.00 0.87 0.00 0.00 54.58 55.32 1sn6 n ASN 22 Cb 0.81 -0.62 -0.09 0.00 -1.02 0.00 0.00 39.78 38.86 1sn6 n ASN 22 CO 0.00 0.00 0.00 -1.59 -1.83 0.00 0.00 177.26 173.84 1sn6 s LYS 23 N -2.58 3.61 0.00 3.52 0.00 -1.26 -5.07 119.74 117.96 1sn6 s LYS 23 Ca -0.23 -0.30 0.00 0.00 0.00 0.00 0.00 55.97 55.44 1sn6 s LYS 23 Cb 0.05 -3.80 0.00 0.00 0.00 0.00 0.00 37.83 34.08 1sn6 s LYS 23 CO 0.33 -0.55 0.00 0.25 0.00 0.00 0.00 175.35 175.38 1sn6 n THR 24 N 5.29 0.00 1.01 3.79 -2.24 -1.26 -4.92 114.28 115.95 1sn6 n THR 24 Ca -0.08 0.00 0.04 0.00 -2.27 0.00 0.00 64.05 61.74 1sn6 n THR 24 Cb 0.49 -1.87 0.12 0.00 -2.10 0.00 0.00 70.33 66.98 1sn6 n THR 24 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1sn6 n GLU 25 N -0.99 1.75 -0.00 -0.78 4.71 -1.26 -3.87 120.64 120.20 1sn6 n GLU 25 Ca 0.00 -0.98 -0.20 0.00 -0.01 0.00 0.00 57.16 55.97 1sn6 n GLU 25 Cb 0.00 -1.30 -0.14 0.00 -1.01 0.00 0.00 31.44 28.99 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 1.53 0.20 0.00 3.49 6.56 -2.00 -2.86 116.57 123.49 1sn6 h LYS 26 Ca 0.00 -0.34 0.00 0.00 -1.06 0.00 0.00 60.65 59.25 1sn6 h LYS 26 Cb 0.47 0.12 0.00 0.00 -0.57 0.00 0.00 32.23 32.26 1sn6 h LYS 26 CO 0.03 1.16 0.00 0.39 -2.06 0.00 0.00 179.45 178.97 1sn6 n GLU 27 N -4.15 0.13 0.00 3.15 4.71 -1.25 -2.74 120.64 120.48 1sn6 n GLU 27 Ca -0.20 0.32 0.00 0.00 -0.01 0.00 0.00 57.16 57.27 1sn6 n GLU 27 Cb 0.78 -1.73 0.00 0.00 -1.01 0.00 0.00 31.44 29.49 1sn6 n GLU 27 CO 0.00 0.00 0.00 -0.89 0.09 0.00 0.00 177.13 176.33 1sn6 n ILE 28 N -1.97 0.00 -0.00 -3.67 2.08 -1.22 -2.67 119.36 111.90 1sn6 n ILE 28 Ca 0.03 0.32 0.21 0.00 0.56 0.00 0.00 62.75 63.87 1sn6 n ILE 28 Cb 0.24 -1.09 0.48 0.00 -0.75 0.00 0.00 39.64 38.53 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 0.21 1.39 4.07 -1.63 0.85 115.31 120.21 1sn6 h LEU 29 Ca 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.95 1sn6 h LEU 29 Cb 0.00 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.74 1sn6 h LEU 29 CO 0.00 0.00 -0.10 0.44 -1.08 0.00 0.00 178.44 177.70 1sn6 h ASP 30 N 0.00 -0.24 -1.41 -0.43 5.19 -1.66 -2.88 116.42 114.99 1sn6 h ASP 30 Ca 0.30 -0.25 0.42 0.00 -0.62 0.00 0.00 57.03 56.88 1sn6 h ASP 30 Cb 2.12 0.06 -0.09 0.00 0.18 0.00 0.00 39.33 41.60 1sn6 h ASP 30 CO -0.00 0.28 0.97 0.00 -3.12 0.00 0.00 179.24 177.37 1sn6 h ALA 31 N -0.55 3.04 -0.29 3.45 0.00 0.93 2.41 119.26 128.26 1sn6 h ALA 31 Ca -0.03 0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.76 1sn6 h ALA 31 Cb 0.48 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1sn6 h ALA 31 CO 0.05 -1.55 -0.42 0.74 0.00 0.00 0.00 179.25 178.07 1sn6 h PHE 32 N 0.09 0.85 0.00 0.00 0.04 -1.28 1.04 116.94 117.67 1sn6 h PHE 32 Ca 0.75 -0.26 0.00 0.00 2.80 0.00 0.00 57.97 61.27 1sn6 h PHE 32 Cb 2.65 -0.18 0.00 0.00 2.20 0.00 0.00 35.95 40.62 1sn6 h PHE 32 CO -0.00 1.01 0.00 -3.47 -0.60 0.00 0.00 178.31 175.24 1sn6 n ASP 33 N -4.03 0.00 0.00 2.17 2.03 0.81 -1.40 116.55 116.12 1sn6 n ASP 33 Ca -0.02 -0.45 0.00 0.00 0.52 0.00 0.00 54.79 54.84 1sn6 n ASP 33 Cb 0.54 -0.02 0.00 0.00 -0.72 0.00 0.00 41.12 40.92 1sn6 n ASP 33 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1sn6 n LYS 34 N -1.02 0.00 0.02 -0.67 5.02 -0.28 -4.43 118.16 116.79 1sn6 n LYS 34 Ca 0.11 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.28 1sn6 n LYS 34 Cb 0.06 -0.09 -0.08 0.00 -0.02 0.00 0.00 35.03 34.89 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 0.01 -0.94 1.97 1.85 0.95 -1.39 114.93 117.38 1sn6 h MET 35 Ca 0.00 -0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.09 1sn6 h MET 35 Cb 0.00 -0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.03 1sn6 h MET 35 CO 0.00 0.19 0.00 0.00 -0.40 0.00 0.00 176.91 176.70 1sn6 n SER 37 N 0.03 1.86 0.27 0.00 3.41 -0.53 -4.17 113.62 114.48 1sn6 n SER 37 Ca 0.02 0.49 0.17 0.00 -0.26 0.00 0.00 58.87 59.29 1sn6 n SER 37 Cb 0.30 -0.88 0.92 0.00 -0.26 0.00 0.00 64.21 64.29 1sn6 n SER 37 CO 0.00 0.00 0.00 0.07 -0.16 0.00 0.00 175.04 174.95 1sn6 h LYS 38 N -1.00 0.00 -6.18 4.33 2.10 -1.61 -3.44 116.57 110.77 1sn6 h LYS 38 Ca -0.21 0.00 -0.60 0.00 -2.00 0.00 0.00 60.65 57.84 1sn6 h LYS 38 Cb 0.98 0.00 0.17 0.00 -0.90 0.00 0.00 32.23 32.47 1sn6 h LYS 38 CO -0.12 0.00 -0.78 -0.11 -2.00 0.00 0.00 179.45 176.44 1sn6 n LEU 39 N -3.63 -1.72 -4.68 7.07 7.94 -1.26 -4.77 117.00 115.94 1sn6 n LEU 39 Ca -0.01 0.76 -0.45 0.00 -1.11 0.00 0.00 56.01 55.21 1sn6 n LEU 39 Cb 0.21 -0.98 -0.03 0.00 0.53 0.00 0.00 43.42 43.15 1sn6 n LEU 39 CO 0.25 -3.86 1.14 -2.65 -1.11 0.00 0.00 177.39 171.16 1sn6 n PRO 40 N 0.93 2.22 -0.30 1.96 -0.02 -1.26 -4.52 135.00 134.00 1sn6 n PRO 40 Ca 0.10 0.80 0.14 0.00 -2.02 0.00 0.00 63.50 62.52 1sn6 n PRO 40 Cb 0.44 -2.53 0.27 0.00 -0.02 0.00 0.00 33.50 31.66 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 2.78 -0.07 0.24 -0.52 4.81 -1.26 0.66 118.16 124.80 1sn6 n LYS 41 Ca 0.14 1.29 -0.15 0.00 -0.87 0.00 0.00 58.31 58.71 1sn6 n LYS 41 Cb 0.31 -2.06 -0.08 0.00 0.02 0.00 0.00 35.03 33.22 1sn6 n LYS 41 CO 0.00 0.00 0.00 0.77 1.17 0.00 0.00 177.40 179.34 1sn6 h SER 42 N 0.00 -1.15 0.09 3.14 0.02 -2.01 -1.49 113.55 112.15 1sn6 h SER 42 Ca 0.54 0.09 0.00 0.00 -0.84 0.00 0.00 61.79 61.58 1sn6 h SER 42 Cb 1.13 0.38 0.00 0.00 0.14 0.00 0.00 62.40 64.05 1sn6 h SER 42 CO -0.80 -0.55 0.00 0.18 -1.14 0.00 0.00 176.83 174.52 1sn6 n LEU 43 N -4.94 0.00 0.12 5.07 4.32 -0.11 -2.51 117.00 118.96 1sn6 n LEU 43 Ca -0.10 0.05 0.05 0.00 -0.02 0.00 0.00 56.01 55.99 1sn6 n LEU 43 Cb 0.38 -0.05 0.02 0.00 -1.62 0.00 0.00 43.42 42.15 1sn6 n LEU 43 CO 0.21 -0.00 0.29 0.77 -1.22 0.00 0.00 177.39 177.44 1sn6 h SER 44 N 0.00 0.00 0.25 -1.43 4.64 0.11 -0.42 113.55 116.69 1sn6 h SER 44 Ca 0.00 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 60.98 1sn6 h SER 44 Cb 0.05 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.15 1sn6 h SER 44 CO 0.00 0.37 -1.65 -0.33 -0.87 0.00 0.00 176.83 174.35 1sn6 h GLU 45 N 0.00 0.42 0.00 4.77 4.39 -1.00 -3.01 114.58 120.15 1sn6 h GLU 45 Ca -0.04 -0.72 0.00 0.00 0.34 0.00 0.00 59.36 58.93 1sn6 h GLU 45 Cb 1.32 0.27 0.00 0.00 -0.10 0.00 0.00 28.75 30.24 1sn6 h GLU 45 CO 0.04 1.34 -0.02 0.93 -1.16 0.00 0.00 179.01 180.14 1sn6 h GLU 46 N 0.12 0.00 0.13 2.33 5.08 -1.57 -2.49 114.58 118.17 1sn6 h GLU 46 Ca -0.31 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 57.78 1sn6 h GLU 46 Cb 2.11 0.00 0.01 0.00 0.50 0.00 0.00 28.75 31.37 1sn6 h GLU 46 CO 0.21 0.00 -1.25 0.00 -1.00 0.00 0.00 179.01 176.97 1sn6 h GLN 48 N 0.08 0.00 0.09 0.00 1.08 -1.52 -3.05 115.11 111.78 1sn6 h GLN 48 Ca -0.14 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.06 1sn6 h GLN 48 Cb 1.98 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 29.41 1sn6 h GLN 48 CO 0.21 0.00 -0.04 1.49 -0.95 0.00 0.00 178.83 179.53 1sn6 h GLU 49 N 0.00 -0.11 -0.81 1.46 4.57 -1.37 -3.00 114.58 115.32 1sn6 h GLU 49 Ca 0.00 0.01 -0.03 0.00 -1.18 0.00 0.00 59.36 58.16 1sn6 h GLU 49 Cb 0.85 0.03 -0.04 0.00 -0.16 0.00 0.00 28.75 29.43 1sn6 h GLU 49 CO 0.00 0.30 0.40 0.28 -1.18 0.00 0.00 179.01 178.81 1sn6 h VAL 50 N -0.56 1.25 -0.63 0.32 2.07 -1.57 -2.72 116.25 114.42 1sn6 h VAL 50 Ca -0.01 -0.69 0.11 0.00 0.82 0.00 0.00 66.70 66.92 1sn6 h VAL 50 Cb 0.47 0.22 -0.12 0.00 -1.52 0.00 0.00 31.29 30.34 1sn6 h VAL 50 CO 0.02 0.30 -0.36 0.58 0.02 0.00 0.00 177.57 178.13 1sn6 h VAL 51 N 1.14 0.14 -0.93 2.57 2.07 -1.47 3.76 116.25 123.52 1sn6 h VAL 51 Ca 0.28 0.00 0.22 0.00 0.82 0.00 0.00 66.70 68.02 1sn6 h VAL 51 Cb 0.11 0.14 -0.07 0.00 -1.52 0.00 0.00 31.29 29.94 1sn6 h VAL 51 CO -0.04 0.00 0.62 0.44 0.02 0.00 0.00 177.57 178.61 1sn6 h ASP 52 N -0.16 0.38 1.32 0.57 5.19 -1.35 1.01 116.42 123.38 1sn6 h ASP 52 Ca 0.23 0.04 -0.09 0.00 -0.62 0.00 0.00 57.03 56.59 1sn6 h ASP 52 Cb 0.56 -0.02 -0.01 0.00 0.18 0.00 0.00 39.33 40.03 1sn6 h ASP 52 CO -0.71 0.14 -0.71 0.74 -3.12 0.00 0.00 179.24 175.58 1sn6 h THR 53 N 0.37 0.54 -2.37 0.35 2.02 0.45 -3.39 112.91 110.87 1sn6 h THR 53 Ca 0.49 -1.83 -0.59 0.00 0.77 0.00 0.00 66.41 65.25 1sn6 h THR 53 Cb 1.29 2.15 -0.40 0.00 -1.74 0.00 0.00 68.15 69.45 1sn6 h THR 53 CO -0.18 0.31 -0.83 -1.22 0.37 0.00 0.00 175.52 173.97 1sn6 n TYR 54 N -3.06 1.33 0.04 3.16 4.02 1.05 -4.82 117.16 118.89 1sn6 n TYR 54 Ca -0.01 -3.82 0.00 0.00 -0.01 0.00 0.00 57.90 54.06 1sn6 n TYR 54 Cb 0.71 -0.32 0.00 0.00 -0.02 0.00 0.00 39.34 39.71 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 1.72 -0.24 0.18 2.72 0.00 0.18 -4.47 105.19 105.28 1sn6 n GLY 55 Ca 0.25 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.40 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 -1.86 -3.30 113.55 114.65 1sn6 h SER 56 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 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 0.00 0.00 -1.20 -0.87 0.00 0.00 176.83 174.76 1sn6 n SER 57 N -2.74 0.00 -0.13 4.97 7.64 -1.26 -2.69 113.62 119.41 1sn6 n SER 57 Ca 0.04 0.16 0.08 0.00 1.01 0.00 0.00 58.87 60.16 1sn6 n SER 57 Cb 0.45 -0.39 0.15 0.00 -1.01 0.00 0.00 64.21 63.41 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 -2.04 -0.16 -0.04 0.44 3.06 -1.26 0.24 119.36 119.59 1sn6 n ILE 58 Ca 0.00 0.80 -0.16 0.00 -2.50 0.00 0.00 62.75 60.89 1sn6 n ILE 58 Cb 0.00 -1.22 -0.13 0.00 0.54 0.00 0.00 39.64 38.83 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 0.13 0.00 9.51 3.38 -1.76 -3.26 115.31 123.32 1sn6 h LEU 59 Ca 0.26 -0.94 0.00 0.00 0.09 0.00 0.00 57.88 57.29 1sn6 h LEU 59 Cb 0.61 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.32 1sn6 h LEU 59 CO -0.33 1.17 0.00 -1.20 0.09 0.00 0.00 178.44 178.17 1sn6 n SER 60 N -4.44 0.00 -0.10 -0.43 7.64 0.65 -4.01 113.62 112.92 1sn6 n SER 60 Ca -0.14 -1.14 -0.16 0.00 1.01 0.00 0.00 58.87 58.45 1sn6 n SER 60 Cb 0.60 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.75 1sn6 n SER 60 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1sn6 n ILE 61 N -0.93 1.50 0.00 0.44 0.00 0.59 -4.24 119.36 116.72 1sn6 n ILE 61 Ca 0.21 -0.02 0.00 0.00 0.00 0.00 0.00 62.75 62.93 1sn6 n ILE 61 Cb 0.09 -2.19 0.00 0.00 0.00 0.00 0.00 39.64 37.54 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 -4.42 0.00 -0.13 9.51 4.77 -1.23 -2.37 117.00 123.14 1sn6 n LEU 62 Ca -0.27 0.00 -0.27 0.00 -0.03 0.00 0.00 56.01 55.44 1sn6 n LEU 62 Cb 0.61 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.59 1sn6 n LEU 62 CO 0.14 0.00 -1.19 0.18 -1.33 0.00 0.00 177.39 175.19 1sn6 n LEU 63 N -0.78 2.03 0.07 2.23 4.77 -1.25 -4.52 117.00 119.54 1sn6 n LEU 63 Ca 0.00 0.32 0.00 0.00 -0.03 0.00 0.00 56.01 56.30 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 0.53 -0.09 -0.62 -1.33 0.00 0.00 177.39 175.89 1sn6 n GLU 64 N -4.20 0.00 0.03 3.23 1.02 -1.00 -4.68 120.64 115.03 1sn6 n GLU 64 Ca -0.48 0.00 0.01 0.00 -0.02 0.00 0.00 57.16 56.67 1sn6 n GLU 64 Cb 0.85 -0.28 0.06 0.00 -0.02 0.00 0.00 31.44 32.05 1sn6 n GLU 64 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1sn6 n GLU 65 N -3.28 0.02 -3.68 3.49 1.02 -1.19 -3.92 120.64 113.09 1sn6 n GLU 65 Ca 0.00 0.33 -0.16 0.00 -0.02 0.00 0.00 57.16 57.32 1sn6 n GLU 65 Cb 0.09 -1.79 -0.15 0.00 -0.02 0.00 0.00 31.44 29.57 1sn6 n GLU 65 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1sn6 s VAL 66 N -2.70 -0.25 0.55 2.62 1.01 -1.00 -5.01 120.40 115.63 1sn6 s VAL 66 Ca -0.00 0.31 -0.17 0.00 0.00 0.00 0.00 61.98 62.12 1sn6 s VAL 66 Cb 0.01 -0.32 -0.06 0.00 0.00 0.00 0.00 36.38 36.02 1sn6 s VAL 66 CO 0.02 0.13 1.04 -0.44 0.00 0.00 0.00 175.10 175.85 1sn6 s SER 67 N 2.11 6.07 0.24 3.32 0.01 -1.25 -3.83 113.70 120.36 1sn6 s SER 67 Ca 0.00 1.80 -0.05 0.00 1.31 0.00 0.00 55.95 59.01 1sn6 s SER 67 Cb -0.12 -2.54 0.38 0.00 0.21 0.00 0.00 66.02 63.96 1sn6 s SER 67 CO -0.06 -0.97 1.78 1.55 0.41 0.00 0.00 173.24 175.95 1sn6 h PRO 68 N 0.79 0.63 -0.02 12.44 0.13 -1.86 -2.11 132.00 142.00 1sn6 h PRO 68 Ca -0.47 -0.04 0.01 0.00 -0.87 0.00 0.00 66.00 64.63 1sn6 h PRO 68 Cb 1.21 -0.14 -0.02 0.00 0.13 0.00 0.00 31.00 32.18 1sn6 h PRO 68 CO 0.58 0.42 -0.07 0.93 -0.23 0.00 0.00 178.00 179.64 1sn6 h GLU 69 N 0.65 -0.10 -0.66 0.86 4.39 -1.90 -2.41 114.58 115.41 1sn6 h GLU 69 Ca 0.38 0.01 0.14 0.00 0.34 0.00 0.00 59.36 60.22 1sn6 h GLU 69 Cb 0.41 0.02 -0.12 0.00 -0.10 0.00 0.00 28.75 28.96 1sn6 h GLU 69 CO -0.28 -0.07 -0.11 1.25 -1.16 0.00 0.00 179.01 178.64 1sn6 h LEU 70 N -0.11 -0.51 -0.44 1.33 5.85 -1.76 -1.54 115.31 118.13 1sn6 h LEU 70 Ca 0.03 0.19 0.05 0.00 0.84 0.00 0.00 57.88 58.99 1sn6 h LEU 70 Cb 0.15 0.37 -0.07 0.00 0.37 0.00 0.00 40.66 41.48 1sn6 h LEU 70 CO -0.08 -0.20 -0.44 0.58 -0.34 0.00 0.00 178.44 177.97 1sn6 h VAL 71 N 0.03 0.00 -1.81 1.05 2.07 -1.19 1.39 116.25 117.79 1sn6 h VAL 71 Ca 0.33 0.00 0.54 0.00 0.82 0.00 0.00 66.70 68.39 1sn6 h VAL 71 Cb 0.53 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 30.21 1sn6 h VAL 71 CO -0.65 0.00 1.28 0.00 0.02 0.00 0.00 177.57 178.22 1sn6 h SER 73 N 0.01 -0.11 -0.95 0.00 0.87 0.19 -3.01 113.55 110.54 1sn6 h SER 73 Ca 0.90 -0.46 0.12 0.00 -1.23 0.00 0.00 61.79 61.12 1sn6 h SER 73 Cb 3.48 0.03 -0.08 0.00 -0.44 0.00 0.00 62.40 65.39 1sn6 h SER 73 CO -0.10 0.51 0.61 0.24 -0.53 0.00 0.00 176.83 177.56 1sn6 h MET 74 N -0.85 0.86 0.00 2.24 2.86 0.42 0.74 114.93 121.20 1sn6 h MET 74 Ca -0.01 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.57 1sn6 h MET 74 Cb 0.57 -0.19 0.00 0.00 0.06 0.00 0.00 31.60 32.04 1sn6 h MET 74 CO 0.02 0.57 0.00 1.28 1.06 0.00 0.00 176.91 179.84 1sn6 n LEU 75 N -4.59 0.00 -4.31 1.22 4.77 0.22 -4.82 117.00 109.49 1sn6 n LEU 75 Ca 0.18 0.37 -0.33 0.00 -0.03 0.00 0.00 56.01 56.20 1sn6 n LEU 75 Cb 0.38 -0.37 -0.08 0.00 -2.33 0.00 0.00 43.42 41.02 1sn6 n LEU 75 CO 0.29 -0.28 -0.35 0.00 -1.33 0.00 0.00 177.39 175.72 1sn6 n HIS 76 N -1.37 -1.32 0.08 -1.77 1.44 0.26 -4.80 115.22 107.73 1sn6 n HIS 76 Ca 0.03 0.66 -0.03 0.00 -2.01 0.00 0.00 57.72 56.37 1sn6 n HIS 76 Cb 0.07 -2.74 -0.06 0.00 0.12 0.00 0.00 29.99 27.38 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 -1.58 0.00 -0.04 2.39 5.85 -1.79 -3.16 115.31 116.98 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 0.74 0.77 -0.14 0.00 -0.34 0.00 0.00 178.44 179.47 1sn6 n SER 79 N -1.38 1.85 0.06 0.00 3.41 -1.20 -4.74 113.62 111.63 1sn6 n SER 79 Ca 0.09 0.02 -0.05 0.00 -0.26 0.00 0.00 58.87 58.66 1sn6 n SER 79 Cb 0.32 -1.32 -0.10 0.00 -0.26 0.00 0.00 64.21 62.85 1sn6 n SER 79 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1sn6 h GLY 80 N 15.04 0.00 -0.16 5.00 0.00 -1.92 -3.47 103.07 117.56 1sn6 h GLY 80 Ca -0.22 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 46.92 1sn6 h GLY 80 CO 1.15 0.00 -0.14 1.47 0.00 0.00 0.00 176.54 179.01 1sn6 n LEU 81 N -3.26 0.00 -4.71 3.11 -0.00 -1.26 -5.10 117.00 105.77 1sn6 n LEU 81 Ca -0.03 -0.96 -0.41 0.00 -0.00 0.00 0.00 56.01 54.61 1sn6 n LEU 81 Cb 0.92 0.21 -0.04 0.00 -0.00 0.00 0.00 43.42 44.51 1sn6 n LEU 81 CO 0.45 -0.14 0.60 0.68 -0.00 0.00 0.00 177.39 178.98 1sn6 s VAL 82 N -1.77 4.90 -0.38 1.47 -7.23 -1.26 -4.92 120.40 111.22 1sn6 s VAL 82 Ca 0.03 1.89 -0.41 0.00 -1.81 0.00 0.00 61.98 61.68 1sn6 s VAL 82 Cb 0.00 -4.24 -0.16 0.00 0.56 0.00 0.00 36.38 32.54 1sn6 s VAL 82 CO 0.02 0.19 1.94 -2.65 -0.31 0.00 0.00 175.10 174.29 1sn6 n PRO 83 N 3.82 0.72 0.00 4.82 -0.02 -1.26 -5.20 135.00 137.88 1sn6 n PRO 83 Ca 0.04 0.23 0.16 0.00 -2.02 0.00 0.00 63.50 61.91 1sn6 n PRO 83 Cb 0.51 -1.98 0.91 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